Yi-FanLi's Stars
deepmodeling/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
i-pi/i-pi
i-PI: a universal force engine
quantumNerd/Quantum-Espresso-Tutorial-2019-Projects
deepmodeling/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
abacusmodeling/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
pipidog/ONCVPSP
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
MolSSI-MDI/MDI_Library
A library that enables code interoperability via the MolSSI Driver Interface.
lingtikong/phana
semodi/libnxc
A library for using machine-learned exchange-correlation functionals for density-functional theory
CSIprinceton/workshop-july-2023
Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023
ipudu/order
:potable_water: A tool to characterize the local structure of liquid water by geometric order parameters.
WangXinyan940/i-pi-driver
Socket client for i-PI package
jglaser/metadynamics-plugin
Metadynamics plugin for HOOMD-blue
PabloPiaggi/mishima-melting-lines-2023
Analysis and input files to reproduce simulations of manuscript "Melting curves of ice polymorphs in the vicinity of the liquid-liquid critical point" by Piaggi, Gartner, Car, and Debenedetti
Yi-FanLi/PhaseEquilibriumWaterIceSCAN
Input files to reproduce the results of the paper: Phase equilibrium of water with hexagonal and cubic ice using the SCAN functional