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physics.chem-ph2020
Physics-informed Neural-Network Software for Molecular Dynamics Applications
Taufeq Mohammed Razakh, Beibei Wang, Shane Jackson +4
We have developed a novel differential equation solver software called PND based on the physics-informed neural network for molecular dynamics simulators. Based on automatic differ…
physics.chem-ph2020
Computational framework for polymer synthesis to study dielectric properties using polarizable reactive molecular dynamics
Ankit Mishra, Lihua Chen, ZongZe Li +11
The increased energy and power density required in modern electronics poses a challenge for designing new dielectric polymer materials with high energy density while maintaining lo…