sshepar2

Develop quantum Monte Carlo (QMC) software. Run simulations of ground and excited-state properties of molecules and solids.

Enschede, NL

Pinned Repositories

champ
The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations of atomic and molecular systems.
Language:C18 9 1006
phonons
Language:Shell00
QMC
Language:Jupyter Notebook00
vasp
Various scripts to manipulate input/output data for/from the VASP program.
Language:MATLAB32

sshepar2's Repositories

sshepar2/vasp
Various scripts to manipulate input/output data for/from the VASP program.
Language:MATLAB32
sshepar2/phonons
Language:Shell00
sshepar2/QMC
Language:Jupyter Notebook00