Tosykie
A PhD student at Nanyang Technological University, having persistence and passion in coding for theoretical calculations and research on materials science.
Nanyang Technological UniversitySingapore
Pinned Repositories
Beautiful-Visualization-with-R
《R语言数据可视化之美》配套代码
CrySPR
A Python interface for implementation of crystal structure pre-relaxation and prediction using machine-learning inter-atomic potentials.
emc
Effective Mass Calculator for Semiconductors
HPC-Guides
Guides for setting up, deploying, and managing HPC clusters. Including Ubuntu VirtualBox cluster, Raspberry Pi bramble, and Ubuntu Enterprise level.
maui
Fork and patch for latest MAUI version
oxi_diel_db
Database and machine learning prediction models of dielectric constants of oxides obtained by first principles calculations.
periodic-NBO
SQS_Fe-Ni_Alloys_OER
This repo stores some of the input and output files used in mcsqs and VASP calculations for the manuscript
xconfigure
High-Performance configuration patterns and recipes.
Tosykie's Repositories
Tosykie/CrySPR
A Python interface for implementation of crystal structure pre-relaxation and prediction using machine-learning inter-atomic potentials.
Tosykie/SQS_Fe-Ni_Alloys_OER
This repo stores some of the input and output files used in mcsqs and VASP calculations for the manuscript
Tosykie/Beautiful-Visualization-with-R
《R语言数据可视化之美》配套代码
Tosykie/emc
Effective Mass Calculator for Semiconductors
Tosykie/HPC-Guides
Guides for setting up, deploying, and managing HPC clusters. Including Ubuntu VirtualBox cluster, Raspberry Pi bramble, and Ubuntu Enterprise level.
Tosykie/maui
Fork and patch for latest MAUI version
Tosykie/oxi_diel_db
Database and machine learning prediction models of dielectric constants of oxides obtained by first principles calculations.
Tosykie/periodic-NBO
Tosykie/phonondb
old repo: http://phonondb.mtl.kyoto-u.ac.jp/
Tosykie/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
Tosykie/qetools
some tools for QE
Tosykie/thesis_template_ntu
Thesis Latex Template for Nanyang Technological University (NTU)
Tosykie/xconfigure
High-Performance configuration patterns and recipes.
Tosykie/zju-icicles
浙江大学课程攻略共享计划