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Pengchao Zhang's Projects

deepks-kit icon deepks-kit

a package for developing machine learning-based chemically accurate energy and density functional models

deepmd-kit icon deepmd-kit

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

dpgen icon dpgen

The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

sfg-spectra-tool icon sfg-spectra-tool

This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program can applied to planar, cylindrical and spherical interfaces

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