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| 2 | Unique chemical reactivity of a graphene nanoribbon’s zigzag edge | Journal of Chemical Physics | 2007 | 443 |
| 3 | Anomaly detection in dynamic networks: a survey | Wiley Interdisciplinary Reviews: Computational Statistics | 2015 | 301 |
| 4 | High‐Selectivity Electrochemical Conversion of CO2 to Ethanol using a Copper Nanoparticle/N‐Doped Graphene Electrode | ChemistrySelect | 2016 | 286 |
| 5 | Computational Insights into Materials and Interfaces for Capacitive Energy Storage | Advanced Science | 2017 | 230 |
| 6 | Cohesion energetics of carbon allotropes: Quantum Monte Carlo study | Journal of Chemical Physics | 2014 | 213 |
| 7 | Community detection in large‐scale networks: a survey and empirical evaluation | Wiley Interdisciplinary Reviews: Computational Statistics | 2014 | 195 |
| 8 | Network-based concurrent computing on the PVM system | Concurrency and Computation: Practice and Experience | 1992 | 187 |
| 9 | Modern Monte Carlo methods for efficient uncertainty quantification and propagation: A survey | Wiley Interdisciplinary Reviews: Computational Statistics | 2021 | 167 |
| 10 | Electronic structure and properties of isoreticular metal-organic frameworks: The case of M-IRMOF1 (M=Zn, Cd, Be, Mg, and Ca) | Journal of Chemical Physics | 2005 | 161 |
| 11 | Nanoscale Elastic Changes in 2D Ti3C2Tx (MXene) Pseudocapacitive Electrodes | Advanced Energy Materials | 2016 | 148 |
| 12 | Focus: Structure and dynamics of the interfacial layer in polymer nanocomposites with attractive interactions | Journal of Chemical Physics | 2017 | 146 |
| 13 | An implicit finite element method for simulating inhomogeneous deformation and shear bands of amorphous alloys based on the free-volume model | Modelling and Simulation in Materials Science and Engineering | 2006 | 137 |
| 14 | Acceleration of the Smith–Waterman algorithm using single and multiple graphics processors | Journal of Computational Physics | 2010 | 106 |
| 15 | O
2
reduction by lithium on Au(111) and Pt(111) | Journal of Chemical Physics | 2010 | 92 |
| 16 | Atomic‐Level Sculpting of Crystalline Oxides: Toward Bulk Nanofabrication with Single Atomic Plane Precision | Small | 2015 | 91 |
| 17 | Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase | Angewandte Chemie - International Edition | 2017 | 89 |
| 18 | Sensitivity of the stationary distribution vector for an ergodic Markov chain | Linear Algebra and Its Applications | 1986 | 84 |
| 19 | A survey of MPI usage in the US exascale computing project | Concurrency Computation Practice and Experience | 2020 | 78 |
| 20 | A comparative study of phosphoric acid‐doped m‐PBI membranes | Journal of Polymer Science, Part B: Polymer Physics | 2014 | 77 |
| 21 | Not just about sunburn – the ozone hole's profound effect on climate has significant implications for Southern Hemisphere ecosystems | Global Change Biology | 2015 | 71 |
| 22 | High-resolution ensemble projections of near-term regional climate over the continental United States | Journal of Geophysical Research D: Atmospheres | 2016 | 69 |
| 23 | Atmospheric iron delivery and surface ocean biological activity in the Southern Ocean and Patagonian region | Geophysical Research Letters | 2003 | 68 |
| 24 | Revealing spatially heterogeneous relaxation in a model nanocomposite | Journal of Chemical Physics | 2015 | 67 |
| 25 | Amphoteric doping of carbon nanotubes by encapsulation of organic molecules: Electronic properties and quantum conductance | Journal of Chemical Physics | 2005 | 63 |
| 26 | The impact of climate, CO2, nitrogen deposition and land use change on simulated contemporary global river flow | Geophysical Research Letters | 2011 | 59 |
| 27 | Mesoscopic Framework Enables Facile Ionic Transport in Solid Electrolytes for Li Batteries | Advanced Energy Materials | 2016 | 59 |
| 28 | A Taylor Expansion‐Based Adaptive Design Strategy for Global Surrogate Modeling With Applications in Groundwater Modeling | Water Resources Research | 2017 | 59 |
| 29 | The lowest energy states of the group-IIIA–group-VA heteronuclear diatomics: BN, BP, AlN, and AlP from full configuration interaction calculations | Journal of Chemical Physics | 2006 | 57 |
| 30 | Defense of Cyber Infrastructures Against Cyber‐Physical Attacks Using Game‐Theoretic Models | Risk Analysis | 2016 | 57 |
| 31 | Tuning interfacial thermal conductance of graphene embedded in soft materials by vacancy defects | Journal of Chemical Physics | 2015 | 56 |
| 32 | Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo | Journal of Chemical Physics | 2015 | 56 |
| 33 | Collapse of the Maya: Could deforestation have contributed? | Journal of Geophysical Research | 2010 | 53 |
| 34 | Nonlinear statistics reveals stronger ties between ENSO and the tropical hydrological cycle | Geophysical Research Letters | 2006 | 52 |
| 35 | The Role of Sulfur in the Synthesis of Novel Carbon Morphologies: From Covalent Y‐Junctions to Sea‐Urchin‐Like Structures | Advanced Functional Materials | 2009 | 52 |
| 36 | Effects of climate change on probable maximum precipitation: A sensitivity study over the Alabama‐Coosa‐Tallapoosa River Basin | Journal of Geophysical Research D: Atmospheres | 2017 | 52 |
| 37 | Adaptive precision in block‐Jacobi preconditioning for iterative sparse linear system solvers | Concurrency Computation Practice and Experience | 2019 | 51 |
| 38 | Multiscale modeling and characterization for performance and safety of lithium-ion batteries | Journal of Applied Physics | 2015 | 48 |
| 39 | Evaluating marginal likelihood with thermodynamic integration method and comparison with several other numerical methods | Water Resources Research | 2016 | 47 |
| 40 | Magnetic tunnel junction sensor with Co/Pt perpendicular anisotropy ferromagnetic layer | Applied Physics Letters | 2009 | 46 |
| 41 | Phosphorus feedbacks constraining tropical ecosystem responses to changes in atmospheric CO2 and climate | Geophysical Research Letters | 2016 | 41 |
| 42 | Understanding How Processing Additives Tune the Nanoscale Morphology of High Efficiency Organic Photovoltaic Blends: From Casting Solution to Spun‐Cast Thin Film | Advanced Functional Materials | 2014 | 40 |
| 43 | Bright Photoluminescence from the Inner Tubes of “Peapod”‐Derived Double‐Walled Carbon Nanotubes | Small | 2009 | 39 |
| 44 | A coarse-grained model for polyethylene glycol polymer | Journal of Chemical Physics | 2011 | 39 |
| 45 | Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo | Journal of Chemical Physics | 2016 | 39 |
| 46 | LU decomposition of M-matrices by elimination without pivoting | Linear Algebra and Its Applications | 1981 | 38 |
| 47 | Continental runoff dynamics in the Community Climate System Model 2 (CCSM2) control simulation | Journal of Geophysical Research | 2003 | 38 |
| 48 | Spatio‐temporal variability of daily and weekly precipitation extremes in South America | Water Resources Research | 2007 | 37 |
| 49 | Eye-gaze-contingent control of the computer interface: Methodology and example for zoom detection | Behavior Research Methods | 1995 | 35 |
| 50 | Thresholds in atmosphere–soil moisture interactions: Results from climate model studies | Journal of Geophysical Research | 2002 | 34 |
