Learning Pair Potentials using Differentiable Simulations

16 September 2022

Papers citing "Learning Pair Potentials using Differentiable Simulations"

5 / 5 papers shown

Title
Differentiable Modeling and Optimization of Battery Electrolyte Mixtures Using Geometric Deep Learning Shang Zhu Bharath Ramsundar Emil Annevelink Hongyi Lin Adarsh Dave Pin-Wen Guan Kevin Gering Venkat Viswanathan 10 1 0 03 Oct 2023
Accurate machine learning force fields via experimental and simulation data fusion Sebastien Röcken J. Zavadlav AI4CE 29 12 0 17 Aug 2023
Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations Xiang Fu Zhenghao Wu Wujie Wang T. Xie S. Keten Rafael Gómez-Bombarelli Tommi Jaakkola 30 136 0 13 Oct 2022
Differentiable Molecular Simulations for Control and Learning Wujie Wang Simon Axelrod Rafael Gómez-Bombarelli AI4CE 103 49 0 27 Feb 2020
SPNets: Differentiable Fluid Dynamics for Deep Neural Networks Connor Schenck D. Fox PINN 3DPC AI4CE 172 161 0 15 Jun 2018