Pinned Repositories
DFT_automation_sample
simple example of automation of VASP calculation for molecules on surfaces
differential-geometry
several script for differential geometry using sympy
espresso-PHrev
for revision of PH part in espresso
hdnnpy-phonopy-interface
interface scripts from hdnnpy prediction results to phonopy&phono3py calculation
hdnnpy-update
hdnnpy repository with my minor update
spring_school_2024
repository for sample used in 2024 spring school
supportTools
several supporting tools for Quantum-espresso and EPW calculation
thermal_conductivity_code
Allen-Feldman thermal conductivity compatible to GULP implementation
HDNNP
high dimensional neural network potential
eminamitani's Repositories
eminamitani/thermal_conductivity_code
Allen-Feldman thermal conductivity compatible to GULP implementation
eminamitani/spring_school_2024
repository for sample used in 2024 spring school
eminamitani/differential-geometry
several script for differential geometry using sympy
eminamitani/espresso-PHrev
for revision of PH part in espresso
eminamitani/supportTools
several supporting tools for Quantum-espresso and EPW calculation
eminamitani/DFT_automation_sample
simple example of automation of VASP calculation for molecules on surfaces
eminamitani/hdnnpy-phonopy-interface
interface scripts from hdnnpy prediction results to phonopy&phono3py calculation
eminamitani/hdnnpy-update
hdnnpy repository with my minor update
eminamitani/lectureNote3
Lecture note source code by rst for the lectures on condensed matter physics in UT Materials Engineering course (Japanese)
eminamitani/repo_solidstatephysicsB
script for solid state physics B lecture
eminamitani/sample_NNP
nnp sample
eminamitani/hdnnpy-shengBTE-interface
interface of hdnnpy for shengBTE
eminamitani/DFT_on_Docker
Docker上での第一原理計算
eminamitani/HDNNP
high dimensional neural network potential
eminamitani/HDNNP-tools
eminamitani/inelastica
Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT
eminamitani/inelastica-local
copy of inelastica
eminamitani/jobautomation
job submit automation test
eminamitani/lammps
Public development project of the LAMMPS MD software package
eminamitani/layeredMaterialToolKit
for automation of several kind of layered material calculation
eminamitani/lecture-Minamitani
Repository for lecture@IMS
eminamitani/nrg-mpi
Fortran based mpi-version of numerical renormalization group
eminamitani/pebble-game-algorithm
pebble game algorithm
eminamitani/TOGL
Topological Graph Neural Networks (ICLR 2022)
eminamitani/vaspScript
tiny scripts for supporting VASP calculation
eminamitani/website
Website for IMS-Minamitani group. Fork from bulma-clean-theme