Institute of Applied Physics and Computational Mathematics

Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics

We introduce a scheme for molecular simulations, the deep potential molecular dynamics (DPMD) method, based on a many-body potential and interatomic forces generated by a carefu...

DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics

Coincidence Bell Inequality for Three Three-Dimensional Systems

We construct a Bell inequality for coincidence probabilities on a three three-dimensional (qutrit) system. We show that this inequality is violated when each observer measures t...

Effect of low-energy electron interference on strong-field molecular ionization

By using a three-dimensional time-dependent Schr\"odinger equation, we calculate alignment-dependent ionization of model diatomic molecules subjected to an intense laser field w...