Application of First-Principles-Based Artificial Neural Network Potentials to Multiscale-Shock Dynamics Simulations on Solid Materials
The journal of physical chemistry letters, pp. 4536-4541, 2020.
Artificial neural-network (ANN) potential trained with first-principles calculations have emerged as a promising approach for molecular dynamics (MD) simulations encompassing large space and time scales while retaining first-principles accuracy. However, the application of ANN-MD has thus far been limited to near-equilibrium processes. He...More
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