rwexler
Assistant Professor of Chemistry and developer of (mostly) Python code for simulations of materials.
Washington University in St. LouisSt. Louis, MO
Pinned Repositories
comp-prob-solv
deftpy-workflows
gcmc
jarvis_leaderboard
This project provides benchmark-performances for materials science applications including Artificial Intelligence (AI), Electronic Structure (ES), Force-field (FF), Quantum Computation (QC) and Experiments (EXP) methods.
phonon-disp-proc
Convert dynamical matrix files from Quantum Espresso ph.x to phonon dispersion data files suitable for visualization in Grace
pymatnest-surface
Nested Sampling code
quacc
A flexible platform for high-throughput, database-driven computational materials science and quantum chemistry.
wexlergroup.github.io
Zero-point-energy
Calculates zero point energy from QUANTUM ESPRESSO dynamical matrix files
rwexler's Repositories
rwexler/Zero-point-energy
Calculates zero point energy from QUANTUM ESPRESSO dynamical matrix files
rwexler/gcmc
rwexler/phonon-disp-proc
Convert dynamical matrix files from Quantum Espresso ph.x to phonon dispersion data files suitable for visualization in Grace
rwexler/deftpy-workflows
rwexler/ccfs
Computational Chemistry From Scratch
rwexler/comp-prob-solv
rwexler/jarvis_leaderboard
This project provides benchmark-performances for materials science applications including Artificial Intelligence (AI), Electronic Structure (ES), Force-field (FF), Quantum Computation (QC) and Experiments (EXP) methods.
rwexler/pymatnest-surface
Nested Sampling code
rwexler/qe2axsf
Converts Quantum Espresso Output Files to AXSF Files
rwexler/qetools
rwexler/quacc
A flexible platform for high-throughput, database-driven computational materials science and quantum chemistry.
rwexler/rwexler.github.io
Personal website and blog
rwexler/wexlergroup.github.io
rwexler/deftpy
rwexler/meta
A community dedicated to supporting tools for technical and scientific communication and interactive computing
rwexler/pytch
rwexler/sns-talk