jihongshi Goto Github PK
Name: Jihong Shi
Type: User
Company: King's College London
Location: London
Jihong Shi's Projects
ab-initio-thermodynamics-of-water
“Ab initio thermodynamics of liquid and solid water” Bingqing Cheng, Edgar A. Engel, JÖrg Behler, Christoph Dellago and Michele Ceriotti
aimd_phd_dissertation_proton_dynamics
Dissertation Coding about proton dynamics, energy storage systems, tracking transport behavior, High-volume data analysis & processing. (Python/Matlab/LINUX))
deepice
A deep neural network approach to identify the phase of molecules
masterclass-2022
mlsummerschoolvienna2022
ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"
n2p2
n2p2 - A Neural Network Potential Package
openmm_workshop_july2023
pwtools
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.
quasi_liquid_layer_order_parameters
Investigating the Quasi-Liquid Layer on Ice Surfaces: a Comparison of Order Parameters
superionic-water
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