Concepedia

Accelerated calculation of configurational free energy using a combination of reverse Monte Carlo and neural network models: Adsorption isotherm for 2D square and triangular lattices

Akash Ball, Swati Rana, Gargi Agrahari, Abhijit Chatterjee

Computer Physics Communications · 2023 · 10 citations · 54 references

References

54

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

Computing, High-performance Computing, Physics +10

Equation of State Calculations by Fast Computing Machines

N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations

Computing, Computer Engineering, Computer Science +9

ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

Justin S. Smith, Olexandr Isayev, Adrián E. Roitberg · Chemical Science · 2017 · 2K citations · Full text

Natural Sciences, Chemistry, Physics +17

Reverse Monte Carlo Simulation: A New Technique for the Determination of Disordered Structures

R L McGreevy, László Pusztai · Molecular Simulation · 1988 · 1.7K citations

Natural Sciences, Materials Science, Physics +14

Introduction to statistical thermodynamics

Journal of the Franklin Institute · 1960 · 1.2K citations

Natural Sciences, Physics, Condensed Matter Physics +16