leslie-zheng
I'm a postdoc researcher working with Geoffroy Hautier at Dartmouth College.
Dartmouth CollegeUnited states
Pinned Repositories
aiida-user-addons
Additonal code and plugins for working with AiiDA. VASP workflows for batteries and more.
aimd
AIMD-pathway-visualization
alamode
Ab initio simulator for thermal transport and lattice anharmonicity
Anharmonic-lattice-dynamics
Set of codes to extract force constants from force-displacements data, calculate thermal equilbrium state using SCP theory and thermal transport properties based on BTE
atomate2
atomate2 is a library of computational materials science workflows
fc2_fc3_force_constants_traceer
nano_structure_thermal_conductivity-
second_order_forceconstants_tracer
Virtual-crystal-approximation-
leslie-zheng's Repositories
leslie-zheng/fc2_fc3_force_constants_traceer
leslie-zheng/aiida-user-addons
Additonal code and plugins for working with AiiDA. VASP workflows for batteries and more.
leslie-zheng/AIMD-pathway-visualization
leslie-zheng/Anharmonic-lattice-dynamics
Set of codes to extract force constants from force-displacements data, calculate thermal equilbrium state using SCP theory and thermal transport properties based on BTE
leslie-zheng/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
leslie-zheng/atomate2
atomate2 is a library of computational materials science workflows
leslie-zheng/elphbolt
A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
leslie-zheng/DynaPhoPy
Phonon anharmonicity analysis from molecular dynamics
leslie-zheng/flare
An open-source Python package for creating fast and accurate interatomic potentials.
leslie-zheng/FourPhonon
Our paper has been accepted at Comput Phys Commun and is available online: https://doi.org/10.1016/j.cpc.2021.108179. We highly recommend you put your related questions in 'Discussions' section.
leslie-zheng/futuremat_public
A public available version of furturemat code that contains core functionalities developed in our lab.
leslie-zheng/GAP
leslie-zheng/gap-train
Gaussian Approximation Potential Training
leslie-zheng/hiPhive_wrapper_NML
leslie-zheng/jiongzhi.zheng.github.io
jiongzhi's website
leslie-zheng/jiongzhiz.zheng.github.io
Personal Website
leslie-zheng/kaldo
Anharmonic Lattice Dynamics
leslie-zheng/MechElastic
A Python library to calculate elastic properties of materials.
leslie-zheng/MTP_alamode_DFSET
leslie-zheng/phoebe
A collection of Phonon and Electron Boltzmann Equation Solvers
leslie-zheng/plotly.py
The interactive graphing library for Python (includes Plotly Express) :sparkles:
leslie-zheng/python-sscha
The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
leslie-zheng/QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
leslie-zheng/ramanpy
Raman tensor calculation using finite displacement method
leslie-zheng/SISSO
A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
leslie-zheng/soap_turbo
leslie-zheng/SQE_phonon
Phonon dynamical structure factor calculation
leslie-zheng/tools.tdep
leslie-zheng/vaspMD
A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD) and Machine Learning Force Field Moelcular Dynamics (MLFF-MD) calculations using VASP, and post-processing tools. Scripts and files are designed to be easily modified to suit your own objectives.
leslie-zheng/yambo
This is the official GPL repository of the yambo code