Force and stress calculation with neural network wavefunction for solids

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00071D, Paper
Yubing Qian, Xiang Li, Ji Chen
Accurate ab initio calculations of real solids are of fundamental importance in fields such as chemistry, phases and materials science. Recently, variational Monte Carlo (VMC) based on neural network wavefunction...
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