etiennepalos
Broadly interested in Theoretical Chemistry and Nanoscience. Many-body effects are key!
@paesanilab
Pinned Repositories
Data_Repository
Data Repository for the Paesani Lab
etiennepalos
Config files for my GitHub profile.
MBX_MBSCAN
MBX is an energy and force calculator for many-body models such as the MB-pol model of water.
Na2MoSe4
Crystal Structures and some data on Na2MoSe4
QUICK
QUICK: A GPU-enabled ab intio quantum chemistry software package
QUICK-tests
A collection of input files and benchmarks for the QUICK quantum chemistry package.
Research
Etienne Palos : Research
QUICK
QUICK: A GPU-enabled ab intio quantum chemistry software package
Data_Repository
Data Repository for the Paesani Lab
MBX
MBX is an energy and force calculator for data-driven many-body simulations.
etiennepalos's Repositories
etiennepalos/Data_Repository
Data Repository for the Paesani Lab
etiennepalos/etiennepalos
Config files for my GitHub profile.
etiennepalos/MBX_MBSCAN
MBX is an energy and force calculator for many-body models such as the MB-pol model of water.
etiennepalos/Na2MoSe4
Crystal Structures and some data on Na2MoSe4
etiennepalos/QUICK
QUICK: A GPU-enabled ab intio quantum chemistry software package
etiennepalos/QUICK-tests
A collection of input files and benchmarks for the QUICK quantum chemistry package.
etiennepalos/Research
Etienne Palos : Research