| 1 | Unlocking Mesoscopic Disorder in Graphitic Carbon with Spectroelectrochemistry | 11.8 | 4 | Citations (PDF) |
| 2 | Unlocking Mesoscopic Disorder in Graphitic Carbon with Spectroelectrochemistry | 0.9 | 0 | Citations (PDF) |
| 3 | Temperature-dependent spin-phonon coupling of boron-vacancy centers in hexagonal boron nitride | 2.5 | 12 | Citations (PDF) |
| 4 | Designing Optically Addressable Nitrogen-Vacancy Centers in Ultrasmall Nanodiamonds: Insights from First-Principles Calculations | 3.1 | 5 | Citations (PDF) |
| 5 | Platinum Carbonates in Aqueous Fluids under Extreme Conditions | 3.1 | 0 | Citations (PDF) |
| 6 | Role of Hidden Grenier Phases in Topotactic Phase Transitions in La1–xSrxCoO3−δ | 5.5 | 3 | Citations (PDF) |
| 7 | Connectivity-Dependent Exciton–Phonon Coupling in Cesium Bismuth Halide Quantum Dots | 11.7 | 5 | Citations (PDF) |
| 8 | An NV− center in magnesium oxide as a spin qubit for hybrid quantum technologies | 8.1 | 12 | Citations (PDF) |
| 9 | Strongly Correlated States of Transition Metal Spin Defects: The Case of an Iron Impurity in Aluminum Nitride | 3.1 | 8 | Citations (PDF) |
| 10 | Computational Study of Indium Oxide Photoelectrodes | 2.4 | 1 | Citations (PDF) |
| 11 | Colloquium: Decoherence of solid-state spin qubits: A computational perspective | 29.4 | 35 | Citations (PDF) |
| 12 | Computationally guided experimental validation of divacancy defect formation in 4H-SiC Open Access | 2.4 | 8 | Citations (PDF) |
| 13 | Dielectric-dependent range-separated hybrid functional calculations for metal oxides | 1.8 | 8 | Citations (PDF) |
| 14 | Design Rules to Engineer the Spin Structure of Cr4+ Molecular Qubits via Matrix Modularity | 12.2 | 11 | Citations (PDF) |
| 15 | First-Principles Framework for the Prediction of Intersystem Crossing Rates in Spin Defects: The Role of Electron Correlation | 5.8 | 14 | Citations (PDF) |
| 16 | Disentangling Conformational and Electronic Effects in Polymerized Acceptors for All-Polymer Solar Cells | 3.1 | 0 | Citations (PDF) |
| 17 | Advances in Quantum Defect Embedding Theory | 3.8 | 18 | Citations (PDF) |
| 18 | Impact of the Atomic Structure at the BiVO4/TiO2 Interface on the Electronic Properties and Performance of BiVO4/TiO2 Photoanodes | 12.2 | 12 | Citations (PDF) |
| 19 | Quantum Vibronic Effects on the Excitation Energies of the Nitrogen-Vacancy Center in Diamond | 3.1 | 13 | Citations (PDF) |
| 20 | Raman Spectra of Electrified Si–Water Interfaces: First-Principles Simulations | 3.1 | 4 | Citations (PDF) |
| 21 | Donor-acceptor pairs in wide-bandgap semiconductors for quantum technology applications | 8.1 | 13 | Citations (PDF) |
| 22 | Metallic Interface between Two Insulating Phases of La1–xSrxCoO3−δ | 4.8 | 3 | Citations (PDF) |
| 23 | Guiding diamond spin qubit growth with computational methods | 1.8 | 16 | Citations (PDF) |
| 24 | Imaging the Meissner effect in hydride superconductors using quantum sensors | 31.8 | 127 | Citations (PDF) |
| 25 | Tuning polymer-backbone coplanarity and conformational order to achieve high-performance printed all-polymer solar cells | 11.0 | 59 | Citations (PDF) |
| 26 | Self-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional Theory | 3.1 | 30 | Citations (PDF) |
| 27 | Charge state and entropic effects affecting the formation and dynamics of divacancies in 3C-SiC | 1.8 | 7 | Citations (PDF) |
| 28 | Atomic optical antennas in solids | 24.2 | 15 | Citations (PDF) |
| 29 | Discovery of atomic clock-like spin defects in simple oxides from first principles | 11.0 | 20 | Citations (PDF) |
| 30 | Understanding Central Spin Decoherence Due to Interacting Dissipative Spin Baths | 5.8 | 15 | Citations (PDF) |
| 31 | Nuclear Quantum Effects on the Electronic Structure of Water and Ice | 3.1 | 25 | Citations (PDF) |
| 32 | Coherent Erbium Spin Defects in Colloidal Nanocrystal Hosts | 11.7 | 9 | Citations (PDF) |
| 33 | First-principles investigation of near-field energy transfer between localized quantum emitters in solids | 2.5 | 4 | Citations (PDF) |
| 34 | Mesomeric control of the optoelectronic properties of polymerized small molecule acceptors | 6.8 | 2 | Citations (PDF) |
| 35 | Quantum Spin Probe of Single Charge Dynamics | 5.8 | 4 | Citations (PDF) |
| 36 | Hydrogen-Induced Topotactic Phase Transformations of Cobaltite Thin Films | 2.4 | 5 | Citations (PDF) |
| 37 | Effects of Solvation and Temperature on the Energetics of BiVO4 Surfaces with Varying Composition for Solar Water Splitting | 12.7 | 11 | Citations (PDF) |
| 38 | Evaluating a quantum-classical quantum Monte Carlo algorithm with Matchgate shadows | 2.5 | 18 | Citations (PDF) |
| 39 | Theory of excitons in colloidal semiconductor nanoplatelets | 2.5 | 5 | Citations (PDF) |
| 40 | GPU-Accelerated Solution of the Bethe–Salpeter Equation for Large and Heterogeneous Systems | 3.8 | 7 | Citations (PDF) |
| 41 | Interplay of molecular dynamics and radiative decay of a TADF emitter in a glass-forming liquid† | 2.1 | 5 | Citations (PDF) |
| 42 | Quantum Simulations of Fermionic Hamiltonians with Efficient Encoding and Ansatz Schemes | 3.8 | 17 | Citations (PDF) |
| 43 | Disentangling photoexcitation and photoluminescence processes in defective MgO | 1.8 | 12 | Citations (PDF) |
| 44 | Quantum Vibronic Effects on the Electronic Properties of Molecular Crystals | 3.8 | 8 | Citations (PDF) |
| 45 | Nonempirical Range-Separated Hybrid Functional with Spatially Dependent Screened Exchange | 3.8 | 32 | Citations (PDF) |
| 46 | Bath-limited dynamics of nuclear spins in solid-state spin platforms | 2.5 | 14 | Citations (PDF) |
| 47 | Optical Properties of Neutral F Centers in Bulk MgO with Density Matrix Embedding | 3.1 | 25 | Citations (PDF) |
| 48 | Thermal Conductivity of Water at Extreme Conditions | 2.1 | 24 | Citations (PDF) |
| 49 | Oxidation Chemistry of Bicarbonate and Peroxybicarbonate: Implications for Carbonate Management in Energy Storage | 12.2 | 13 | Citations (PDF) |
| 50 | Engineering the formation of spin-defects from first principles | 11.0 | 21 | Citations (PDF) |
| 51 | Impact of Varying the Photoanode/Catalyst Interfacial Composition on Solar Water Oxidation: The Case of BiVO4(010)/FeOOH Photoanodes | 12.2 | 63 | Citations (PDF) |
| 52 | Detecting Spin-Bath Polarization with Quantum Quench Phase Shifts of Single Spins in Diamond | 7.3 | 8 | Citations (PDF) |
| 53 | Excited State Properties of Point Defects in Semiconductors and Insulators Investigated with Time-Dependent Density Functional Theory | 3.8 | 45 | Citations (PDF) |
| 54 | Microwave-Based Quantum Control and Coherence Protection of Tin-Vacancy Spin Qubits in a Strain-Tuned Diamond-Membrane Heterostructure | 8.0 | 43 | Citations (PDF) |
| 55 | Tunable ferroelectricity in oxygen-deficient perovskites with Grenier structure | 8.1 | 10 | Citations (PDF) |
| 56 | Photoelectron spectra of water and simple aqueous solutions at extreme conditions | 2.7 | 1 | Citations (PDF) |
| 57 | Five-second coherence of a single spin with single-shot readout in silicon carbide | 8.2 | 165 | Citations (PDF) |
| 58 | Quantum simulations of thermally activated delayed fluorescence in an all-organic emitter† | 2.1 | 8 | Citations (PDF) |
| 59 | Determining the Oxygen Stoichiometry of Cobaltite Thin Films | 4.8 | 9 | Citations (PDF) |
| 60 | Twisted A-D-A Type Acceptors with Thermally-Activated Delayed Crystallization Behavior for Efficient Nonfullerene Organic Solar Cells | 16.6 | 16 | Citations (PDF) |
| 61 | Simulating the Electronic Structure of Spin Defects on Quantum Computers | 7.3 | 39 | Citations (PDF) |
| 62 | Generalized scaling of spin qubit coherence in over 12,000 host materials | 5.3 | 108 | Citations (PDF) |
| 63 | Understanding the Effect of Lead Iodide Excess on the Performance of Methylammonium Lead Iodide Perovskite Solar Cells | 12.7 | 44 | Citations (PDF) |
| 64 | Green’s Function Formulation of Quantum Defect Embedding Theory | 3.8 | 68 | Citations (PDF) |
| 65 | Influence of nuclear quantum effects on the electronic properties of amorphous carbon | 5.3 | 18 | Citations (PDF) |
| 66 | Quantum embedding theories to simulate condensed systems on quantum computers | 10.4 | 60 | Citations (PDF) |
| 67 | Enhancing Spin Coherence in Optically Addressable Molecular Qubits through Host-Matrix Control | 8.0 | 72 | Citations (PDF) |
| 68 | DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science | 2.1 | 281 | Citations (PDF) |
| 69 | Influence of Excess Charge on Water Adsorption on the BiVO4(010) Surface | 12.2 | 52 | Citations (PDF) |
| 70 | Computational Protocol to Evaluate Electron–Phonon Interactions Within Density Matrix Perturbation Theory | 3.8 | 14 | Citations (PDF) |
| 71 | Vibrationally resolved optical excitations of the nitrogen-vacancy center in diamond | 8.1 | 48 | Citations (PDF) |
| 72 | Probing the Coherence of Solid-State Qubits at Avoided Crossings | 7.3 | 63 | Citations (PDF) |
| 73 | The impact of surface composition on the interfacial energetics and photoelectrochemical properties of BiVO4 | 44.8 | 197 | Citations (PDF) |
| 74 | Molecular Polarizabilities in Aqueous Systems from First-Principles | 2.1 | 9 | Citations (PDF) |
| 75 | Determining the Structure–Property Relationships of Quasi-Two-Dimensional Semiconductor Nanoplatelets | 2.4 | 13 | Citations (PDF) |
| 76 | Code interoperability extends the scope of quantum simulations | 8.1 | 13 | Citations (PDF) |
| 77 | Quantum Embedding Theory for Strongly Correlated States in Materials | 3.8 | 104 | Citations (PDF) |
| 78 | Solvation of simple ions in water at extreme conditions | 2.2 | 12 | Citations (PDF) |
| 79 | Predicting the Onset of Metal–Insulator Transitions in Transition Metal Oxides—A First Step in Designing Neuromorphic Devices | 4.8 | 15 | Citations (PDF) |
| 80 | Quantum guidelines for solid-state spin defects | 51.2 | 510 | Citations (PDF) |
| 81 | Substrate-controlled dynamics of spin qubits in low dimensional van der Waals materials | 2.4 | 21 | Citations (PDF) |
| 82 | Lessons learned from first-principles calculations of transition metal oxides | 2.2 | 11 | Citations (PDF) |
| 83 | Integration of theory and experiment in the modelling of heterogeneous electrocatalysis | 44.8 | 79 | Citations (PDF) |
| 84 | Cation and anion topotactic transformations in cobaltite thin films leading to Ruddlesden-Popper phases | 1.8 | 14 | Citations (PDF) |
| 85 | Advanced Materials for Energy-Water Systems: The Central Role of Water/Solid Interfaces in Adsorption, Reactivity, and Transport | 44.0 | 99 | Citations (PDF) |
| 86 | Spin–spin interactions in defects in solids from mixed all-electron and pseudopotential first-principles calculations | 8.1 | 27 | Citations (PDF) |
| 87 | Theoretical and experimental study of the nitrogen-vacancy center in 4H-SiC | 1.8 | 24 | Citations (PDF) |
| 88 | Quantum vibronic effects on the electronic properties of solid and molecular carbon | 1.8 | 23 | Citations (PDF) |
| 89 | Spatial Patterns of Light-Harvesting Antenna Complex Arrangements Tune the Transfer-to-Trap Efficiency of Excitons in Purple Bacteria | 3.1 | 6 | Citations (PDF) |
| 90 | Photoluminescence spectra of point defects in semiconductors: Validation of first-principles calculations | 1.8 | 76 | Citations (PDF) |
| 91 | Observation of spatially resolved Rashba states on the surface of CH3NH3PbBr3 single crystals Available to Purchase | 7.0 | 25 | Citations (PDF) |
| 92 | First-Principles Predictions of Out-of-Plane Group IV and V Dimers as High-Symmetry, High-Spin Defects in Hexagonal Boron Nitride | 5.5 | 20 | Citations (PDF) |
| 93 | Machine learning dielectric screening for the simulation of excited state properties of molecules and materials† | 5.7 | 27 | Citations (PDF) |
| 94 | Integrating Computation and Experiment to Investigate Photoelectrodes for Solar Water Splitting at the Microscopic Scale | 11.8 | 14 | Citations (PDF) |
| 95 | PyCCE: A Python Package for Cluster Correlation Expansion Simulations of Spin Qubit Dynamics | 2.1 | 52 | Citations (PDF) |
| 96 | Probing the electronic properties of the electrified silicon/water interface by combining simulations and experiments | 5.3 | 9 | Citations (PDF) |
| 97 | Stability and molecular pathways to the formation of spin defects in silicon carbide | 11.0 | 53 | Citations (PDF) |
| 98 | Combined First-Principles Calculations of Electron–Electron and Electron–Phonon Self-Energies in Condensed Systems | 3.8 | 13 | Citations (PDF) |
| 99 | Understanding the metal-to-insulator transition in La1−xSrxCoO3−δ and its applications for neuromorphic computing | 8.1 | 39 | Citations (PDF) |
| 100 | Can a PbCrO4 Photoanode Perform as Well as Isoelectronic BiVO4? | 3.9 | 15 | Citations (PDF) |
| 101 | Stoichiometry of the Core Determines the Electronic Structure of Core–Shell III–V/II–VI Nanoparticles | 4.8 | 15 | Citations (PDF) |
| 102 | Entanglement and control of single nuclear spins in isotopically engineered silicon carbide | 24.5 | 183 | Citations (PDF) |
| 103 | First-principles studies of strongly correlated states in defect spin qubits in diamond† | 2.1 | 34 | Citations (PDF) |
| 104 | Dissociation of salts in water under pressure | 11.0 | 38 | Citations (PDF) |
| 105 | The Role of Surface Oxygen Vacancies in BiVO4 | 4.8 | 171 | Citations (PDF) |
| 106 | Molecular polarizabilities as fingerprints of perturbations to water by ions and confinement | 2.2 | 22 | Citations (PDF) |
| 107 | Quantum simulations of materials on near-term quantum computers | 8.1 | 182 | Citations (PDF) |
| 108 | A first principles method to determine speciation of carbonates in supercritical water | 11.0 | 41 | Citations (PDF) |
| 109 | Atomistic simulations of the thermal conductivity of liquids | 1.8 | 12 | Citations (PDF) |
| 110 | Validating first-principles molecular dynamics calculations of oxide/water interfaces with x-ray reflectivity data | 1.8 | 13 | Citations (PDF) |
| 111 | PyZFS: A Python package for first-principles calculations of zero-field splitting tensors | 1.5 | 23 | Citations (PDF) |
| 112 | MatD^3^: A Database and Online Presentation Package for Research Data Supporting Materials Discovery, Design, and Dissemination | 1.5 | 2 | Citations (PDF) |
| 113 | Qresp, a tool for curating, discovering and exploring reproducible scientific papers | 4.6 | 30 | Citations (PDF) |
| 114 | Ab Initio Calculation of Equilibrium Isotopic Fractionations of Potassium and Rubidium in Minerals and Water | 1.9 | 77 | Citations (PDF) |
| 115 | Modeling Superlattices of Dipolar and Polarizable Semiconducting Nanoparticles | 6.3 | 9 | Citations (PDF) |
| 116 | Finite-Field Approach to Solving the Bethe-Salpeter Equation | 5.8 | 49 | Citations (PDF) |
| 117 | Designing Janus Ligand Shells on PbS Quantum Dots using Ligand–Ligand Cooperativity | 11.7 | 27 | Citations (PDF) |
| 118 | Spin coherence in two-dimensional materials | 8.1 | 109 | Citations (PDF) |
| 119 | Spin–phonon interactions in silicon carbide addressed by Gaussian acoustics | 10.8 | 238 | Citations (PDF) |
| 120 | Improving the efficiency of GW calculations with approximate spectral decompositions of dielectric matrices | 2.2 | 7 | Citations (PDF) |
| 121 | A Finite-Field Approach for GW Calculations beyond the Random Phase Approximation | 3.8 | 28 | Citations (PDF) |
| 122 | All-electron density functional calculations for electron and nuclear spin interactions in molecules and solids | 1.8 | 27 | Citations (PDF) |
| 123 | Dielectric-dependent hybrid functionals for heterogeneous materials | 1.8 | 63 | Citations (PDF) |
| 124 | Computational prediction of lattice thermal conductivity: A comparison of molecular dynamics and Boltzmann transport approaches | 1.8 | 57 | Citations (PDF) |
| 125 | Sterically controlled mechanochemistry under hydrostatic pressure | 31.8 | 97 | Citations (PDF) |
| 126 | Intra-molecular Charge Transfer and Electron Delocalization in Non-fullerene Organic Solar Cells | 5.5 | 30 | Citations (PDF) |
| 127 | Hierarchical Coupling of First-Principles Molecular Dynamics with Advanced Sampling Methods | 3.8 | 19 | Citations (PDF) |
| 128 | GW100: Comparison of Methods and Accuracy of Results Obtained with the WEST Code | 3.8 | 79 | Citations (PDF) |
| 129 | Electron affinity of liquid water | 11.0 | 153 | Citations (PDF) |
| 130 | Excitations Partition into Two Distinct Populations in Bulk Perovskites | 4.8 | 9 | Citations (PDF) |
| 131 | Emergent Electronic and Dielectric Properties of Interacting Nanoparticles at Finite Temperature | 6.3 | 8 | Citations (PDF) |
| 132 | Direct Synthesis of Six-Monolayer (1.9 nm) Thick Zinc-Blende CdSe Nanoplatelets Emitting at 585 nm | 4.8 | 106 | Citations (PDF) |
| 133 | Role of Point Defects in Enhancing the Conductivity of BiVO4 | 4.8 | 102 | Citations (PDF) |
| 134 | Coupling First-Principles Calculations of Electron–Electron and Electron–Phonon Scattering, and Applications to Carbon-Based Nanostructures | 3.8 | 11 | Citations (PDF) |
| 135 | The role of defects and excess surface charges at finite temperature for optimizing oxide photoabsorbers | 24.5 | 79 | Citations (PDF) |
| 136 | Enhanced Multiple Exciton Generation in PbS|CdS Janus-like Heterostructured Nanocrystals | 11.7 | 66 | Citations (PDF) |
| 137 | First-Principles Simulations of Liquid Water Using a Dielectric-Dependent Hybrid Functional | 3.1 | 92 | Citations (PDF) |
| 138 | Optical Absorbance Enhancement in PbS QD/Cinnamate Ligand Complexes | 3.1 | 39 | Citations (PDF) |
| 139 | Surface chemistry and buried interfaces in all-inorganic nanocrystalline solids | 23.9 | 36 | Citations (PDF) |
| 140 | Communication: Dielectric properties of condensed systems composed of fragments | 2.2 | 12 | Citations (PDF) |
| 141 | Ab initio spectroscopy and ionic conductivity of water under Earth mantle conditions | 5.3 | 46 | Citations (PDF) |
| 142 | Defect States and Charge Transport in Quantum Dot Solids | 4.8 | 42 | Citations (PDF) |
| 143 | Modelling heterogeneous interfaces for solar water splitting | 24.5 | 309 | Citations (PDF) |
| 144 | Local and Global Effects of Dissolved Sodium Chloride on the Structure of Water | 3.1 | 120 | Citations (PDF) |
| 145 | Incorporation of Pyrazine and Bipyridine Linkers with High-Spin Fe(II) and Co(II) in a Metal–Organic Framework | 3.4 | 26 | Citations (PDF) |
| 146 | Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry | 5.3 | 245 | Citations (PDF) |
| 147 | Charge Transport in Nanostructured Materials: Implementation and Verification of Constrained Density Functional Theory | 3.8 | 40 | Citations (PDF) |
| 148 | Tuning colloidal quantum dot band edge positions through solution-phase surface chemistry modification | 11.0 | 325 | Citations (PDF) |
| 149 | Performance and Self-Consistency of the Generalized Dielectric Dependent Hybrid Functional | 3.8 | 43 | Citations (PDF) |
| 150 | Design of Heterogeneous Chalcogenide Nanostructures with Pressure-Tunable Gaps and without Electronic Trap States | 6.3 | 9 | Citations (PDF) |
| 151 | Instability and Efficiency of Mixed Halide Perovskites CH3NH3AI3–xClx (A = Pb and Sn): A First-Principles, Computational Study | 4.8 | 23 | Citations (PDF) |
| 152 | Electronic structure of aqueous solutions: Bridging the gap between theory and experiments | 8.2 | 57 | Citations (PDF) |
| 153 | Hydrogen Treatment as a Detergent of Electronic Trap States in Lead Chalcogenide Nanoparticles | 4.8 | 18 | Citations (PDF) |
| 154 | Optimizing surface defects for atomic-scale electronics: Si dangling bonds | 1.8 | 19 | Citations (PDF) |
| 155 | First-principles simulations of heat transport | 1.8 | 41 | Citations (PDF) |
| 156 | Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies | 1.8 | 64 | Citations (PDF) |
| 157 | Implementation and Validation of Fully Relativistic GW Calculations: Spin–Orbit Coupling in Molecules, Nanocrystals, and Solids | 3.8 | 232 | Citations (PDF) |
| 158 | Blind test of density-functional-based methods on intermolecular interaction energies | 2.2 | 117 | Citations (PDF) |
| 159 | Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum technologies | 2.7 | 65 | Citations (PDF) |
| 160 | Novel silicon phases and nanostructures for solar energy conversion | 7.0 | 87 | Citations (PDF) |
| 161 | Quantum decoherence dynamics of divacancy spins in silicon carbide | 11.0 | 205 | Citations (PDF) |
| 162 | Photoelectron Spectra of Aqueous Solutions from First Principles | 12.2 | 75 | Citations (PDF) |
| 163 | Planarity and multiple components promote organic photovoltaic efficiency by improving electronic transport† | 2.1 | 22 | Citations (PDF) |
| 164 | Charge transport properties of bulk from first principles | 2.5 | 35 | Citations (PDF) |
| 165 | Nonempirical range-separated hybrid functionals for solids and molecules | 2.5 | 167 | Citations (PDF) |
| 166 | The fate of carbon dioxide in water-rich fluids under extreme conditions | 8.2 | 67 | Citations (PDF) |
| 167 | Generalization of Dielectric-Dependent Hybrid Functionals to Finite Systems | 8.0 | 56 | Citations (PDF) |
| 168 | Designing defect spins for wafer-scale quantum technologies | 3.6 | 30 | Citations (PDF) |
| 169 | First-Principles Framework to Compute Sum-Frequency Generation Vibrational Spectra of Semiconductors and Insulators | 5.8 | 49 | Citations (PDF) |
| 170 | Electronic Structure of IrO2: The Role of the Metal d Orbitals | 2.4 | 135 | Citations (PDF) |
| 171 | Density and Compressibility of Liquid Water and Ice from First-Principles Simulations with Hybrid Functionals | 3.1 | 87 | Citations (PDF) |
| 172 | Surface dangling bonds are a cause of B-type blinking in Si nanoparticles† | 3.7 | 44 | Citations (PDF) |
| 173 | Large Scale GW Calculations | 3.8 | 338 | Citations (PDF) |
| 174 | Tetrahedrally coordinated carbonates in Earth’s lower mantle | 11.0 | 67 | Citations (PDF) |
| 175 | Electronic Energy Levels and Band Alignment for Aqueous Phenol and Phenolate from First Principles | 2.1 | 17 | Citations (PDF) |
| 176 | Colloidal Nanoparticles for Intermediate Band Solar Cells | 11.7 | 42 | Citations (PDF) |
| 177 | The ionization potential of aqueous hydroxide computed using many-body perturbation theory | 2.2 | 36 | Citations (PDF) |
| 178 | Probing the electronic structure of liquid water with many-body perturbation theory | 2.5 | 71 | Citations (PDF) |
| 179 | Dipolar correlations in liquid water | 2.2 | 46 | Citations (PDF) |
| 180 | Si-based Earth abundant clathrates for solar energy conversion† | 22.6 | 33 | Citations (PDF) |
| 181 | Optimizing the Band Edges of Tungsten Trioxide for Water Oxidation: A First-Principles Study | 2.4 | 69 | Citations (PDF) |
| 182 | Self-consistent hybrid functional for condensed systems | 2.5 | 417 | Citations (PDF) |
| 183 | The refractive index and electronic gap of water and ice increase with increasing pressure | 11.0 | 83 | Citations (PDF) |
| 184 | Germanium nanoparticles with non-diamond core structures for solar energy conversion | 6.8 | 32 | Citations (PDF) |
| 185 | Interfacial Effects on the Band Edges of Functionalized Si Surfaces in Liquid Water | 12.2 | 96 | Citations (PDF) |
| 186 | Optoelectronic properties of : A joint theoretical and experimental study | 2.5 | 71 | Citations (PDF) |
| 187 | Nanostructured Clathrate Phonon Glasses: Beyond the Rattling Concept | 6.3 | 31 | Citations (PDF) |
| 188 | Electronic Structure of Aqueous Sulfuric Acid from First-Principles Simulations with Hybrid Functionals | 3.1 | 27 | Citations (PDF) |
| 189 | Perovskites for Solar Thermoelectric Applications: A First Principle Study of CH3NH3AI3 (A = Pb and Sn) | 4.8 | 356 | Citations (PDF) |
| 190 | Solar Nanocomposites with Complementary Charge Extraction Pathways for Electrons and Holes: Si Embedded in ZnS | 5.8 | 22 | Citations (PDF) |
| 191 | Alumina(0001)/Water Interface: Structural Properties and Infrared Spectra from First-Principles Molecular Dynamics Simulations | 2.4 | 61 | Citations (PDF) |
| 192 | Ab Initio Optoelectronic Properties of Silicon Nanoparticles: Excitation Energies, Sum Rules, and Tamm–Dancoff Approximation | 3.8 | 31 | Citations (PDF) |
| 193 | Structural and electronic properties of aqueous NaCl solutions from molecular dynamics simulations with hybrid density functionals | 2.1 | 82 | Citations (PDF) |
| 194 | Strongly Anisotropic Dielectric Relaxation of Water at the Nanoscale | 3.1 | 136 | Citations (PDF) |
| 195 | Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth | 5.3 | 216 | Citations (PDF) |
| 196 | Dimensionality and heat transport in Si-Ge superlattices | 2.4 | 49 | Citations (PDF) |
| 197 | Spectral representation analysis of dielectric screening in solids and molecules | 2.5 | 5 | Citations (PDF) |
| 198 | Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory† | 33.4 | 176 | Citations (PDF) |
| 199 | β-Rhombohedral Boron: At the Crossroads of the Chemistry of Boron and the Physics of Frustration | 44.0 | 213 | Citations (PDF) |
| 200 | Increasing impact ionization rates in Si nanoparticles through surface engineering: A density functional study | 2.5 | 24 | Citations (PDF) |
| 201 | Optical properties of tungsten trioxide from first-principles calculations | 2.5 | 88 | Citations (PDF) |
| 202 | Ice nucleation at the nanoscale probes no man’s land of water | 11.0 | 132 | Citations (PDF) |
| 203 | Communication: Electronic structure of the solvated chloride anion from first principles molecular dynamics | 2.2 | 50 | Citations (PDF) |
| 204 | Band offsets and dielectric properties of the amorphous Si3N4/Si(100) interface: A first-principles study | 2.4 | 27 | Citations (PDF) |
| 205 | calculations using the spectral decomposition of the dielectric matrix: Verification, validation, and comparison of methods | 2.5 | 131 | Citations (PDF) |
| 206 | Combined Theoretical and Experimental Study of Band-Edge Control of Si through Surface Functionalization | 2.4 | 63 | Citations (PDF) |
| 207 | The quantum nature of the OH stretching mode in ice and water probed by neutron scattering experiments | 2.2 | 43 | Citations (PDF) |
| 208 | A block variational procedure for the iterative diagonalization of non-Hermitian random-phase approximation matrices | 2.2 | 19 | Citations (PDF) |
| 209 | Ab initio calculations of absorption spectra of semiconducting nanowires within many-body perturbation theory | 2.5 | 20 | Citations (PDF) |
| 210 | Vibrational properties of alkyl monolayers on Si(111) surfaces: Predictions from ab-initio calculations | 2.4 | 6 | Citations (PDF) |
| 211 | Lattice thermal conductivity of semiconducting bulk materials: atomistic simulations | 2.1 | 132 | Citations (PDF) |
| 212 | Dispersion Interactions and Vibrational Effects in Ice as a Function of Pressure: A First Principles Study | 5.8 | 57 | Citations (PDF) |
| 213 | Microscopic Origin of the Reduced Thermal Conductivity of Silicon Nanowires | 5.8 | 117 | Citations (PDF) |
| 214 | First-Principles Study of the Infrared Spectra of the Ice Ih (0001) Surface | 1.9 | 10 | Citations (PDF) |
| 215 | Solvation Properties of Microhydrated Sulfate Anion Clusters: Insights from abInitio Calculations | 2.1 | 23 | Citations (PDF) |
| 216 | Improving accuracy and efficiency of calculations of photoemission spectra within the many-body perturbation theory | 2.5 | 109 | Citations (PDF) |
| 217 | Tungsten Oxide Clathrates for Water Oxidation: A First Principles Study | 4.8 | 42 | Citations (PDF) |
| 218 | Probing the Structure of Salt Water under Confinement with First-Principles Molecular Dynamics and Theoretical X-ray Absorption Spectroscopy | 3.1 | 47 | Citations (PDF) |
| 219 | Solution of the Bethe-Salpeter equation without empty electronic states: Application to the absorption spectra of bulk systems | 2.5 | 57 | Citations (PDF) |
| 220 | Tailored Nanoheterojunctions for Optimized Light Emission | 5.8 | 22 | Citations (PDF) |
| 221 | Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals | 3.8 | 156 | Citations (PDF) |
| 222 | First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals | 3.8 | 152 | Citations (PDF) |
| 223 | Homogeneous ice nucleation from supercooled water | 2.1 | 259 | Citations (PDF) |
| 224 | Morphology and Temperature Dependence of the Thermal Conductivity of Nanoporous SiGe | 6.3 | 56 | Citations (PDF) |
| 225 | Thermal Transport in Nanoporous Silicon: Interplay between Disorder at Mesoscopic and Atomic Scales | 11.7 | 134 | Citations (PDF) |
| 226 | Heat transport in amorphous silicon: Interplay between morphology and disorder | 2.4 | 119 | Citations (PDF) |
| 227 | Entropy of Liquid Water from Ab Initio Molecular Dynamics | 2.1 | 53 | Citations (PDF) |
| 228 | Microscopic modeling of the dielectric properties of silicon nitride | 2.5 | 16 | Citations (PDF) |
| 229 | Stability of hydrocarbons at deep Earth pressures and temperatures | 5.3 | 90 | Citations (PDF) |
| 230 | First-principles investigations of the dielectric properties of crystalline and amorphous Si3N4 thin films | 2.4 | 25 | Citations (PDF) |
| 231 | Geometrical frustration in an elemental solid: An Ising model to explain the defect structure of ?-rhombohedral boron | 2.5 | 46 | Citations (PDF) |
| 232 | Electronic and spectroscopic properties of the hydrogen-terminated Si(111) surface from ab initio calculations | 2.5 | 25 | Citations (PDF) |
| 233 | Cluster expansion and optimization of thermal conductivity in SiGe nanowires | 2.5 | 33 | Citations (PDF) |
| 234 | Power series expansion of the random phase approximation correlation energy: The role of the third- and higher-order contributions | 2.2 | 50 | Citations (PDF) |
| 235 | van der Waals Interactions in Molecular Assemblies from First-Principles Calculations | 1.9 | 50 | Citations (PDF) |
| 236 | Ab initio investigation of the melting line of nitrogen at high pressure | 2.5 | 33 | Citations (PDF) |
| 237 | Ab initio calculations of optical absorption spectra: Solution of the Bethe–Salpeter equation within density matrix perturbation theory | 2.2 | 153 | Citations (PDF) |
| 238 | Structural and Electronic Properties of the Methyl-Terminated Si(111) Surface | 2.4 | 15 | Citations (PDF) |
| 239 | Local Effects in the X-ray Absorption Spectrum of Salt Water | 2.1 | 45 | Citations (PDF) |
| 240 | Emerging Photoluminescence in Monolayer MoS2 | 6.3 | 9,366 | Citations (PDF) |
| 241 | A first-principles study of weakly bound molecules using exact exchange and the random phase approximation | 2.2 | 72 | Citations (PDF) |
| 242 | Temperature Dependence of the Thermal Conductivity of Thin Silicon Nanowires | 6.3 | 163 | Citations (PDF) |
| 243 | First-Principle Analysis of the IR Stretching Band of Liquid Water | 3.1 | 48 | Citations (PDF) |
| 244 | The 1,4-phenylenediisocyanide dimer: gas-phase properties and insights into organic self-assembled monolayers† | 2.1 | 4 | Citations (PDF) |
| 245 | First-principles study of electronic and vibrational properties of BaHfN2 | 2.5 | 29 | Citations (PDF) |
| 246 | Nucleation of tetrahedral solids: A molecular dynamics study of supercooled liquid silicon | 2.2 | 43 | Citations (PDF) |
| 247 | Surface-induced crystallization in supercooled tetrahedral liquids | 24.5 | 96 | Citations (PDF) |
| 248 | High-Energy Excitations in Silicon Nanoparticles | 6.3 | 44 | Citations (PDF) |
| 249 | Imperfect Crystal and Unusual Semiconductor: Boron, a Frustrated Element | 12.2 | 124 | Citations (PDF) |
| 250 | Theoretical investigation of methane under pressure | 2.2 | 16 | Citations (PDF) |
| 251 | Water Confined in Carbon Nanotubes: Magnetic Response and Proton Chemical Shieldings | 2.4 | 16 | Citations (PDF) |
| 252 | Calculation of Quasi-Particle Energies of Aromatic Self-Assembled Monolayers on Au(111) | 3.8 | 36 | Citations (PDF) |
| 253 | Iterative calculations of dielectric eigenvalue spectra | 2.5 | 99 | Citations (PDF) |
| 254 | Atomistic Simulations of Heat Transport in Silicon Nanowires | 5.8 | 271 | Citations (PDF) |
| 255 | Ab initio Calculation of van der Waals Bonded Molecular Crystals | 5.8 | 147 | Citations (PDF) |
| 256 | Electronic Effects in the IR Spectrum of Water under Confinement† | 2.1 | 36 | Citations (PDF) |
| 257 | Nature and Strength of Interlayer Binding in Graphite | 5.8 | 255 | Citations (PDF) |
| 258 | Practical algorithms to facilitate large-scale first-principles molecular dynamics | 0.2 | 6 | Citations (PDF) |
| 259 | Electronic Structure of Thiolate-Covered Gold Nanoparticles: Au102(MBA)44 | 11.7 | 84 | Citations (PDF) |
| 260 | Water Confined in Nanotubes and between Graphene Sheets: A First Principle Study | 12.2 | 472 | Citations (PDF) |
| 261 | Dielectric Properties of Ice and Liquid Water from First-Principles Calculations | 5.8 | 65 | Citations (PDF) |
| 262 | Efficient iterative method for calculations of dielectric matrices | 2.5 | 117 | Citations (PDF) |
| 263 | Probing Properties of Water under Confinement: Infrared Spectra | 6.3 | 39 | Citations (PDF) |
| 264 | Microscopic Characterization of the Interface between Aromatic Isocyanides and Au(111): A First-Principles Investigation | 2.4 | 40 | Citations (PDF) |
| 265 | Effect of Nitrogen on the Stability of Silicon Nanocrystals Produced by Decomposition of Alkyl Silanes | 2.4 | 9 | Citations (PDF) |
| 266 | Atomistic Design of Thermoelectric Properties of Silicon Nanowires | 6.3 | 125 | Citations (PDF) |
| 267 | Melting of ice under pressure | 5.3 | 130 | Citations (PDF) |
| 268 | First principles and classical molecular dynamics simulations of solvated benzene | 2.2 | 29 | Citations (PDF) |
| 269 | First-principles calculations of the dielectric properties of silicon nanostructures | 2.4 | 21 | Citations (PDF) |
| 270 | Role of dipolar correlations in the infrared spectra of water and ice | 2.5 | 85 | Citations (PDF) |
| 271 | Lattice thermal conductivity of nanoporous Si: Molecular dynamics study | 2.4 | 144 | Citations (PDF) |
| 272 | Electronic Properties of MoS2 Nanoparticles | 2.4 | 705 | Citations (PDF) |
| 273 | Thermal Conductivity of Isolated and Interacting Carbon Nanotubes: Comparing Results from Molecular Dynamics and the Boltzmann Transport Equation | 5.8 | 183 | Citations (PDF) |
| 274 | Structural Characterization of Aldehyde-Terminated Self-Assembled Monolayers† | 1.9 | 16 | Citations (PDF) |
| 275 | Structure of Hydrophobic Hydration of Benzene and Hexafluorobenzene from First Principles | 2.1 | 50 | Citations (PDF) |
| 276 | Single functional group interactions with individual carbon nanotubes | 23.9 | 61 | Citations (PDF) |
| 277 | Light emission from silicon-rich nitride nanostructures | 2.4 | 138 | Citations (PDF) |
| 278 | Synthesis, Characterization, and Modeling of Nitrogen-Passivated Colloidal and Thin Film Silicon Nanocrystals | 2.2 | 14 | Citations (PDF) |
| 279 | First principles simulations of the structural and electronic properties of silicon nanowires | 2.5 | 183 | Citations (PDF) |
| 280 | Light-Emitting Silicon Nanocrystals and Photonic Structures in Silicon Nitride | 2.2 | 36 | Citations (PDF) |
| 281 | Size and Structure Dependence of Carbon Monoxide Chemisorption on Cobalt Clusters | 2.1 | 30 | Citations (PDF) |
| 282 | Adhesion of single functional groups to individual carbon nanotubes: Electronic effects probed by ab initio calculations | 2.5 | 12 | Citations (PDF) |
| 283 | X-Ray Absorption Spectra of Water from First Principles Calculations | 5.8 | 361 | Citations (PDF) |
| 284 | DMC Study of the Optoelectronic Properties of Diamondoids | 0.1 | 0 | Citations (PDF) |
| 285 | Wetting behavior of low-index cubic SiC surfaces | 2.2 | 11 | Citations (PDF) |
| 286 | First principle study of nanodiamond optical and electronic properties | 2.8 | 20 | Citations (PDF) |
| 287 | Growth of Carbon Nanotubes on Metal Nanoparticles: A Microscopic Mechanism from Ab Initio Molecular Dynamics Simulations | 5.8 | 283 | Citations (PDF) |
| 288 | The electronic structure of liquid water within density-functional theory | 2.2 | 107 | Citations (PDF) |
| 289 | A First-Principles Molecular Dynamics Study of Calcium in Water | 1.6 | 95 | Citations (PDF) |
| 290 | Dielectric Response of Periodic Systems from Quantum Monte Carlo Calculations | 5.8 | 26 | Citations (PDF) |
| 291 | Theory of Alkyl-Terminated Silicon Quantum Dots | 2.1 | 135 | Citations (PDF) |
| 292 | A Theoretical Study of Biotin Chemisorption on Si−SiC(001) Surfaces | 2.1 | 20 | Citations (PDF) |
| 293 | Water at a Hydrophilic Solid Surface Probed by Ab initio Molecular Dynamics: Inhomogeneous Thin Layers of Dense Fluid | 12.2 | 66 | Citations (PDF) |
| 294 | Electron Emission from Diamondoids: A Diffusion Quantum Monte Carlo Study | 5.8 | 164 | Citations (PDF) |
| 295 | Ab initio simulations of dense liquid deuterium: Comparison with gas-gun shock-wave experiments | 2.5 | 97 | Citations (PDF) |
| 296 | Optical properties of passivated silicon nanoclusters: The role of synthesis Available to Purchase | 2.2 | 43 | Citations (PDF) |
| 297 | Atomic Control of Water Interaction with Biocompatible Surfaces: The Case of SiC(001) | 5.8 | 113 | Citations (PDF) |
| 298 | Insulator to metal transition in fluid deuterium | 2.2 | 12 | Citations (PDF) |
| 299 | The Effect of Organic Ligand Binding on the Growth of CdSe Nanoparticles Probed by Ab Initio Calculations | 6.3 | 317 | Citations (PDF) |
| 300 | Chemisorption on semiconductor nanocomposites: A mechanism for hydrogen storage | 2.4 | 26 | Citations (PDF) |
| 301 | Optical Properties of Silicon Clusters in the Presence of Water: A First Principles Theoretical Analysis | 12.2 | 32 | Citations (PDF) |
| 302 | Quantum and Classical Molecular Dynamics Simulations of Hydrophobic Hydration Structure around Small Solutes | 2.1 | 39 | Citations (PDF) |
| 303 | Interaction of Water Molecules with SiC(001) Surfaces | 2.1 | 56 | Citations (PDF) |
| 304 | Solution Synthesis of Germanium Nanocrystals: Success and Open Challenges | 6.3 | 97 | Citations (PDF) |
| 305 | Early chemistry in hot and dense nitromethane: Molecular dynamics simulations | 2.2 | 111 | Citations (PDF) |
| 306 | Computational Engineering of the Stability and Optical Gaps of SiC Quantum Dots | 6.3 | 80 | Citations (PDF) |
| 307 | Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II | 2.2 | 357 | Citations (PDF) |
| 308 | Towards an assessment of the accuracy of density functional theory for first principles simulations of water | 2.2 | 519 | Citations (PDF) |
| 309 | A first principles simulation of rigid water | 2.2 | 78 | Citations (PDF) |
| 310 | Self-Healing of CdSe Nanocrystals: First-Principles Calculations | 5.8 | 228 | Citations (PDF) |
| 311 | Probing the Electronic Density of States of Germanium Nanoparticles: A Method for Determining Atomic Structure | 6.3 | 28 | Citations (PDF) |
| 312 | Ab Initio Calculations in a Uniform Magnetic Field Using Periodic Supercells | 5.8 | 24 | Citations (PDF) |
| 313 | Quantum Confinement and Fullerenelike Surface Reconstructions in Nanodiamonds | 5.8 | 370 | Citations (PDF) |
| 314 | Melting of Lithium Hydride under Pressure | 5.8 | 81 | Citations (PDF) |
| 315 | Synthesis dynamics of passivated silicon nanoclusters | 1.0 | 7 | Citations (PDF) |
| 316 | Ultradispersity of diamond at the nanoscale | 24.5 | 182 | Citations (PDF) |
| 317 | Computational Studies of the Optical Emission of Silicon Nanocrystals | 12.2 | 167 | Citations (PDF) |
| 318 | Optically Activated Functionalization Reactions in Si Quantum Dots | 12.2 | 47 | Citations (PDF) |
| 319 | Structural Stability and Optical Properties of Nanomaterials with Reconstructed Surfaces | 5.8 | 149 | Citations (PDF) |
| 320 | Calculation of optical absorption spectra of hydrogenated Si clusters: Bethe-Salpeter equation versus time-dependent local-density approximation | 2.5 | 94 | Citations (PDF) |
| 321 | Structure and Bonding of Dense Liquid Oxygen from First Principles Simulations | 5.8 | 29 | Citations (PDF) |
| 322 | High-Pressure Molecular Phases of Solid Carbon Dioxide | 5.8 | 86 | Citations (PDF) |
| 323 | Influence of Synthesis Conditions on the Structural and Optical Properties of Passivated Silicon Nanoclusters | 5.8 | 55 | Citations (PDF) |
| 324 | Schwegler et al. Reply: | 5.8 | 2 | Citations (PDF) |
| 325 | Surface Chemistry of Silicon Nanoclusters | 5.8 | 358 | Citations (PDF) |
| 326 | Electronic excitations and the compressibility of deuterium | 2.5 | 32 | Citations (PDF) |
| 327 | Surface control of optical properties in silicon nanoclusters | 2.2 | 135 | Citations (PDF) |
| 328 | Quantum Monte Carlo Calculations of Nanostructure Optical Gaps: Application to Silicon Quantum Dots | 5.8 | 204 | Citations (PDF) |
| 329 | Liquid-Liquid Phase Transition in Elemental Carbon: A First-Principles Investigation | 5.8 | 78 | Citations (PDF) |
| 330 | Passivation effects of silicon nanoclusters | 3.9 | 13 | Citations (PDF) |
| 331 | Theoretical studies of silicon carbide surfaces | 3.5 | 51 | Citations (PDF) |
| 332 | Dissociation of Water under Pressure | 5.8 | 183 | Citations (PDF) |
| 333 | Structure and stability of germanium nanoparticles | 2.5 | 62 | Citations (PDF) |
| 334 | Defects at the carbon terminated SiC(001) surface | 3.9 | 3 | Citations (PDF) |
| 335 | Conformational dynamics of the dimethyl phosphate anion in solution | 2.1 | 19 | Citations (PDF) |
| 336 | A first principles molecular dynamics simulation of the hydrated magnesium ion | 2.1 | 181 | Citations (PDF) |
| 337 | Physical properties of cubic SiC(001) surfaces from first-principles simulations | 5.1 | 8 | Citations (PDF) |
| 338 | Ab initio simulations of compressed liquid deuterium | 2.5 | 75 | Citations (PDF) |
| 339 | Carbon lines on the cubic SiC(001) surface | 2.5 | 33 | Citations (PDF) |
| 340 | Water under Pressure | 5.8 | 148 | Citations (PDF) |
| 341 | The solvation of Na+ in water: First-principles simulations | 2.2 | 257 | Citations (PDF) |
| 342 | Crystal Structure of Carbon Dioxide at High Pressure: “Superhard” Polymeric Carbon Dioxide | 5.8 | 247 | Citations (PDF) |
| 343 | Quantum Mechanical Simulations of Microfracture in a Complex Material | 5.8 | 24 | Citations (PDF) |
| 344 | Wetting Silicon Carbide with Nitrogen: A Theoretical Study | 5.8 | 9 | Citations (PDF) |
| 345 | Influence of stress and defects on the silicon-terminated SiC(001) surface structure | 2.5 | 67 | Citations (PDF) |
| 346 | Vibrational and electronic properties of neutral and negatively charged clusters | 2.5 | 83 | Citations (PDF) |
| 347 | First-principles calculations of SiC(001) surface core level shifts | 2.4 | 21 | Citations (PDF) |
| 348 | The Role of Preparation Conditions on the SIC(001) Surface Reconstructions: A First Principles Study | 0.1 | 0 | Citations (PDF) |
| 349 | Reconstruction and Thermal Stability of the Cubic SiC (001) Surfaces | 5.8 | 79 | Citations (PDF) |
| 350 | Real-space adaptive-coordinate electronic-structure calculations | 2.5 | 210 | Citations (PDF) |
| 351 | EPITAXIAL ZnO ON SAPPHIRE | 2.4 | 91 | Citations (PDF) |
| 352 | First-Principles Investigation of Near-Surface Divacancies in Silicon Carbide | 6.3 | 11 | Citations (PDF) |
| 353 | p-Type BiVO4 for Solar O2 Reduction to H2O2 | 12.2 | 18 | Citations (PDF) |
| 354 | Shedding Light on Water Wires | 0.0 | 2 | Citations (PDF) |
| 355 | Energy transfer between localized emitters in photonic cavities from first principles | 2.5 | 3 | Citations (PDF) |
| 356 | Donor–Acceptor Pairs Near Silicon Carbide Surfaces | 3.1 | 3 | Citations (PDF) |
| 357 | Probing aqueous interfaces with spin defects Available to Purchase | 2.2 | 1 | Citations (PDF) |
| 358 | High-throughput spin-bath characterization of spin defects in semiconductors | 2.8 | 4 | Citations (PDF) |
| 359 | Defects at play: Shaping the photophysics and photochemistry of ice | 5.3 | 2 | Citations (PDF) |
| 360 | Spin Decoherence Dynamics of Er3+ in CeO2 Films | 5.8 | 5 | Citations (PDF) |
| 361 | Strategies to search for two-dimensional materials with long spin qubit coherence time | 5.4 | 3 | Citations (PDF) |
| 362 | Towards dislocation-driven quantum interconnects | 8.1 | 4 | Citations (PDF) |
| 363 | Understanding surface-induced decoherence of NV centers in diamond | 1.8 | 4 | Citations (PDF) |
| 364 | Quantum Decoherence of Nitrogen‐Vacancy Spin Ensembles in a Nitrogen Spin Bath in Diamond Under Dynamical Decoupling | 4.8 | 1 | Citations (PDF) |
| 365 | Trans-dimensional Hamiltonian model selection and parameter estimation from sparse, noisy data | 3.1 | 2 | Citations (PDF) |
| 366 | Optimizing spin qubit coherence through materials codesign | 3.6 | 2 | Citations (PDF) |
| 367 | Characterizing Defect Dynamics in Silicon Carbide Using Symmetry-Adapted Collective Variables and Machine Learning Interatomic Potentials. | 3.8 | 1 | Citations (PDF) |
| 368 | Harnessing the Spin-Flip Radiative Lifetimes of Optically Addressable Molecular Qubits. | 5.5 | 0 | Citations (PDF) |
| 369 | Defective Interfaces between BiVO 4 Photoelectrodes and TiO 2 Protective Layers | 4.8 | 1 | Citations (PDF) |
| 370 | Strategies to Predict and Design Spin Defects for Quantum Technologies. | 3.8 | 1 | Citations (PDF) |
| 371 | Engineering Intermediate Phases in Topotactic Phase Transitions of Cobaltite Perovskites | 4.8 | 0 | Citations (PDF) |
| 372 | Hybrid Functionals with Spatially Resolved Screening for Excited-State Calculations. | 3.8 | 0 | Citations (PDF) |
| 373 | Enhancing erbium optical emission rate via high-throughput host crystal selection | 2.4 | 0 | Citations (PDF) |
