# | Title | Journal | Year | Citations |
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1 | Fast Parallel Algorithms for Short-Range Molecular Dynamics | Journal of Computational Physics | 1995 | 35,279 |
2 | Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes | Journal of Computational Physics | 1977 | 18,418 |
3 | Volume of fluid (VOF) method for the dynamics of free boundaries | Journal of Computational Physics | 1981 | 12,164 |
4 | Fronts propagating with curvature-dependent speed: Algorithms based on Hamilton-Jacobi formulations | Journal of Computational Physics | 1988 | 11,578 |
5 | Approximate Riemann solvers, parameter vectors, and difference schemes | Journal of Computational Physics | 1981 | 8,613 |
6 | A perfectly matched layer for the absorption of electromagnetic waves | Journal of Computational Physics | 1994 | 8,574 |
7 | GROMACS: A message-passing parallel molecular dynamics implementation | Computer Physics Communications | 1995 | 8,250 |
8 | A continuum method for modeling surface tension | Journal of Computational Physics | 1992 | 7,608 |
9 | Towards the ultimate conservative difference scheme. V. A second-order sequel to Godunov's method | Journal of Computational Physics | 1979 | 5,957 |
10 | Compact finite difference schemes with spectral-like resolution | Journal of Computational Physics | 1992 | 5,222 |
11 | Efficient Implementation of Weighted ENO Schemes | Journal of Computational Physics | 1996 | 5,195 |
12 | A general method for numerically simulating the stochastic time evolution of coupled chemical reactions | Journal of Computational Physics | 1976 | 5,049 |
13 | Physics-informed neural networks: A deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations | Journal of Computational Physics | 2019 | 4,963 |
14 | Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling | Journal of Computational Physics | 1977 | 4,897 |
15 | NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations | Computer Physics Communications | 2010 | 4,740 |
16 | Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach | Computer Physics Communications | 2005 | 4,200 |
17 | BoltzTraP. A code for calculating band-structure dependent quantities | Computer Physics Communications | 2006 | 4,184 |
18 | Solution of the implicitly discretised fluid flow equations by operator-splitting | Journal of Computational Physics | 1986 | 3,992 |
19 | Efficient implementation of essentially non-oscillatory shock-capturing schemes | Journal of Computational Physics | 1988 | 3,905 |
20 | A Level Set Approach for Computing Solutions to Incompressible Two-Phase Flow | Journal of Computational Physics | 1994 | 3,887 |
21 | A fast algorithm for particle simulations | Journal of Computational Physics | 1987 | 3,849 |
22 | A brief introduction to PYTHIA 8.1 | Computer Physics Communications | 2008 | 3,740 |
23 | High resolution schemes for hyperbolic conservation laws | Journal of Computational Physics | 1983 | 3,432 |
24 | High-Re solutions for incompressible flow using the Navier-Stokes equations and a multigrid method | Journal of Computational Physics | 1982 | 3,361 |
25 | The Piecewise Parabolic Method (PPM) for gas-dynamical simulations | Journal of Computational Physics | 1984 | 3,220 |
26 | An introduction to PYTHIA 8.2 | Computer Physics Communications | 2015 | 3,174 |
27 | LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales | Computer Physics Communications | 2022 | 3,106 |
28 | Full-potential, linearized augmented plane wave programs for crystalline systems | Computer Physics Communications | 1990 | 3,005 |
29 | wannier90: A tool for obtaining maximally-localised Wannier functions | Computer Physics Communications | 2008 | 2,947 |
30 | Solution of the Schrödinger equation by a spectral method | Journal of Computational Physics | 1982 | 2,939 |
31 | Boundary conditions for direct simulations of compressible viscous flows | Journal of Computational Physics | 1992 | 2,861 |
32 | AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules | Computer Physics Communications | 1995 | 2,839 |
33 | Uniformly high order accurate essentially non-oscillatory schemes, III | Journal of Computational Physics | 1987 | 2,676 |
34 | Efficient implementation of essentially non-oscillatory shock-capturing schemes, II | Journal of Computational Physics | 1989 | 2,675 |
35 | Simulating Free Surface Flows with SPH | Journal of Computational Physics | 1994 | 2,614 |
36 | The numerical simulation of two-dimensional fluid flow with strong shocks | Journal of Computational Physics | 1984 | 2,600 |
37 | Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations | Journal of Computational Physics | 1983 | 2,558 |
38 | CONTIN: A general purpose constrained regularization program for inverting noisy linear algebraic and integral equations | Computer Physics Communications | 1982 | 2,557 |
39 | Application of a fractional-step method to incompressible Navier-Stokes equations | Journal of Computational Physics | 1985 | 2,545 |
40 | Numerical analysis of blood flow in the heart | Journal of Computational Physics | 1977 | 2,544 |
41 | A constrained regularization method for inverting data represented by linear algebraic or integral equations | Computer Physics Communications | 1982 | 2,532 |
42 | Weighted Essentially Non-oscillatory Schemes | Journal of Computational Physics | 1994 | 2,532 |
43 | Minuit - a system for function minimization and analysis of the parameter errors and correlations | Computer Physics Communications | 1975 | 2,478 |
44 | PLUMED 2: New feathers for an old bird | Computer Physics Communications | 2014 | 2,454 |
45 | Relaxation of Crystals with the Quasi-Newton Method | Journal of Computational Physics | 1997 | 2,389 |
46 | A numerical method for solving incompressible viscous flow problems | Journal of Computational Physics | 1967 | 2,354 |
47 | Towards the ultimate conservative difference scheme. IV. A new approach to numerical convection | Journal of Computational Physics | 1977 | 2,323 |
48 | VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code | Computer Physics Communications | 2021 | 2,308 |
49 | ABINIT: First-principles approach to material and nanosystem properties | Computer Physics Communications | 2009 | 2,297 |
50 | Efficient estimation of free energy differences from Monte Carlo data | Journal of Computational Physics | 1976 | 2,280 |
51 | High-energy-physics event generation with PYTHIA 5.7 and JETSET 7.4 | Computer Physics Communications | 1994 | 2,254 |
52 | Fully multidimensional flux-corrected transport algorithms for fluids | Journal of Computational Physics | 1979 | 2,239 |
53 | NAMD2: Greater Scalability for Parallel Molecular Dynamics | Journal of Computational Physics | 1999 | 2,222 |
54 | The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices | Journal of Computational Physics | 1975 | 2,203 |
55 | Meep: A flexible free-software package for electromagnetic simulations by the FDTD method | Computer Physics Communications | 2010 | 2,195 |
56 | Flow patterns around heart valves: A numerical method | Journal of Computational Physics | 1972 | 2,186 |
57 | Ab initio molecular simulations with numeric atom-centered orbitals | Computer Physics Communications | 2009 | 2,170 |
58 | Variance based sensitivity analysis of model output. Design and estimator for the total sensitivity index | Computer Physics Communications | 2010 | 2,138 |
59 | CALYPSO: A method for crystal structure prediction | Computer Physics Communications | 2012 | 2,085 |
60 | A survey of several finite difference methods for systems of nonlinear hyperbolic conservation laws | Journal of Computational Physics | 1978 | 2,078 |
61 | An arbitrary Lagrangian-Eulerian computing method for all flow speeds | Journal of Computational Physics | 1974 | 2,061 |
62 | Local adaptive mesh refinement for shock hydrodynamics | Journal of Computational Physics | 1989 | 2,058 |
63 | A new algorithm for Monte Carlo simulation of Ising spin systems | Journal of Computational Physics | 1975 | 2,031 |
64 | Structural optimization using sensitivity analysis and a level-set method | Journal of Computational Physics | 2004 | 2,015 |
65 | Towards the ultimate conservative difference scheme. II. Monotonicity and conservation combined in a second-order scheme | Journal of Computational Physics | 1974 | 1,975 |
66 | A front-tracking method for viscous, incompressible, multi-fluid flows | Journal of Computational Physics | 1992 | 1,972 |
67 | High-energy-physics event generation with Pythia 6.1 | Computer Physics Communications | 2001 | 1,932 |
68 | ShengBTE: A solver of the Boltzmann transport equation for phonons | Computer Physics Communications | 2014 | 1,931 |
69 | Dispersion-Relation-Preserving Finite Difference Schemes for Computational Acoustics | Journal of Computational Physics | 1993 | 1,929 |
70 | Adaptive mesh refinement for hyperbolic partial differential equations | Journal of Computational Physics | 1984 | 1,891 |
71 | Flux-corrected transport. I. SHASTA, a fluid transport algorithm that works | Journal of Computational Physics | 1973 | 1,890 |
72 | A spectral element method for fluid dynamics: Laminar flow in a channel expansion | Journal of Computational Physics | 1984 | 1,886 |
73 | A Numerical Method for Solving Incompressible Viscous Flow Problems | Journal of Computational Physics | 1997 | 1,866 |
74 | Flux vector splitting of the inviscid gasdynamic equations with application to finite-difference methods | Journal of Computational Physics | 1981 | 1,800 |
75 | A time-split nonhydrostatic atmospheric model for weather research and forecasting applications | Journal of Computational Physics | 2008 | 1,789 |
76 | The Runge–Kutta Discontinuous Galerkin Method for Conservation Laws V | Journal of Computational Physics | 1998 | 1,787 |
77 | FeynRules 2.0 — A complete toolbox for tree-level phenomenology | Computer Physics Communications | 2014 | 1,777 |
78 | Numerical integration for polyatomic systems | Journal of Computational Physics | 1992 | 1,761 |
79 | A Front-Tracking Method for the Computations of Multiphase Flow | Journal of Computational Physics | 2001 | 1,744 |
80 | An atomic multiconfigurational Dirac-Fock package | Computer Physics Communications | 1980 | 1,713 |
81 | A simple boundary condition for unbounded hyperbolic flows | Journal of Computational Physics | 1976 | 1,683 |
82 | GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model | Computer Physics Communications | 2004 | 1,598 |
83 | A Non-oscillatory Eulerian Approach to Interfaces in Multimaterial Flows (the Ghost Fluid Method) | Journal of Computational Physics | 1999 | 1,587 |
84 | Electronic structure calculations of solids using the WIEN2k package for material sciences | Computer Physics Communications | 2002 | 1,582 |
85 | An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions | Computer Physics Communications | 2014 | 1,561 |
86 | WannierTools: An open-source software package for novel topological materials | Computer Physics Communications | 2018 | 1,557 |
87 | Modeling Low Reynolds Number Incompressible Flows Using SPH | Journal of Computational Physics | 1997 | 1,535 |
88 | Automated one-loop calculations in four and D dimensions | Computer Physics Communications | 1999 | 1,522 |
89 | A multiconfiguration relativistic DIRAC-FOCK program | Computer Physics Communications | 1975 | 1,506 |
90 | The calculation of the potential of mean force using computer simulations | Computer Physics Communications | 1995 | 1,496 |
91 | Level Set Methods: An Overview and Some Recent Results | Journal of Computational Physics | 2001 | 1,471 |
92 | Generating Feynman diagrams and amplitudes with FeynArts 3 | Computer Physics Communications | 2001 | 1,468 |
93 | Making best use of model evaluations to compute sensitivity indices | Computer Physics Communications | 2002 | 1,466 |
94 | A Multiscale Finite Element Method for Elliptic Problems in Composite Materials and Porous Media | Journal of Computational Physics | 1997 | 1,458 |
95 | PLUMED: A portable plugin for free-energy calculations with molecular dynamics | Computer Physics Communications | 2009 | 1,448 |
96 | Combined Immersed-Boundary Finite-Difference Methods for Three-Dimensional Complex Flow Simulations | Journal of Computational Physics | 2000 | 1,444 |
97 | Jacobian-free Newton–Krylov methods: a survey of approaches and applications | Journal of Computational Physics | 2004 | 1,433 |
98 | A High-Order Accurate Discontinuous Finite Element Method for the Numerical Solution of the Compressible Navier–Stokes Equations | Journal of Computational Physics | 1997 | 1,422 |
99 | New High-Resolution Central Schemes for Nonlinear Conservation Laws and Convection–Diffusion Equations | Journal of Computational Physics | 2000 | 1,403 |
100 | GRASP: A general-purpose relativistic atomic structure program | Computer Physics Communications | 1989 | 1,389 |