Technical Skill
-
First-principles calculations
VASP, Quantum Espresso, Wannier90, EPW, NEB -
Tight-binding modeling
PythTB, WannierTools, PhononTB (My own code) -
Inverse materials design
AMADEUS (Ab initio materials design using conformational space annealing) -
Atomic potential generation using ML algorithm
aenet (one of the contributors) -
Machine-learning tools
Tensorflow(intermediated) -
Programming
Python, Fortran, LaTex