sampad95's Stars
warda-rahim/scripts-compchem
A set of scripts I have written for dealing with computational chemistry data from phonopy, phono3py, boltztrap, etc. packages.
warda-rahim/ModeMapPlotter
A tool for plotting one-dimensional and two-dimensional potential energy surfaces along phonon modes.
warda-rahim/phononplotter
A tool for plotting phonon dispersion curves and phonon density of states.
skelton-group/Phono3py-Power-Tools
Tools for Phono(3)py power users.
jarvist/Julia-Phonons
Julia codes to play with Phonons
vanroeke/qscaild
SSCHAcode/python-sscha
The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
jsyony37/thermoelectricbandmodel
Thermoelectric properties vs band structures
s-utkarsh/introduction_to_ml_with_python
Notebooks and code for the book "Introduction to Machine Learning with Python"
RuiVieira89/QuasiSteadyStateTEG
Quasi Steady State 1D Thermoelectric model to evaluate the potential electrical output
TnakaTnakaTnaka/TEP_tools
Python scripts to calculate thermoelectric properties by using NEGF method in OpenMX code (http://www.openmx-square.org/).
rajak7/Bayesian_Optimization_Material_design
Accelerated Design of Layered Materials with Bayesian Optimization
janosh/thermo
Data-driven risk-conscious thermoelectric materials discovery
compchem-cybertraining/Tutorials_DynEMol
compchem-cybertraining/Cyber_Training_Workshop_2022
CyberTraining workshop 2022
AkimovLab/Cyber_Training_Workshop_2022
CyberTraining workshop 2022
compchem-cybertraining/Tutorials_Libra
Tutorials showcasing various capabilities of Libra
compchem-cybertraining/Tutorials_Editing_Visualization
Tutorials on creating atomistic models using VESTA software
raymond-yiqunwang/phonon_bandplot
Plot phonon band structure and fix the ordering problem in Phonopy
cippo1987/XDATCAR_distance
Calculate atomic distances in not orthogonal cell
Volkov-da/curie_calculator
Magnetic critical temperature Calculator
Baijianlu/mDCThermalC
A software to calculate thermal conductivity quickly and accurately
Baijianlu/AICON2
AICON2: A program for calculating transport properties quickly and accurately
houzf/empirical_thermal_conductivity
Estimate the thermal conductivity using empirical models
meganhoover/Python-Scripts
Python scripts that I have found helpful.
suan12/NEGF
Non-equilibrium green's function method
FourPhonon/FourPhonon
An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
WMD-group/Phonons
A collection of structures, force constants and phonon data obtained from first-principles calculations
SMTG-Bham/sumo
Heavyweight plotting tools for ab initio calculations
shahramyalameha/ThermoPlotter
A simple tool for making plotting scripts for thermoelectrics codes used in computational materials science.