mvanvleet
Assistant Professor, Theoretical Chemistry, Spelman College. PhD, University of Wisconsin-Madison
Spelman CollegeAtlanta, GA
Pinned Repositories
cc-reduction-ncnpt
Gaussian input/output files and resulting optimized structures related to the manuscript __________
chemistry
A simple set of scripts for performing stoichiometry-based tasks.
mvanvleet.github.io
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
p2p-fitting
Fitting codes for obtaining both transferable dispersion coefficients and isotropic dipole polarizabilities. Original author: Jesse G. McDaniel
pchem-ii
Resources for SCHE 346
pointer
psi4education
Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.
pyridonate-ch-bond-activation
workflow-for-force-fields
Streamline ab initio, SAPT-based force field development for any system.
mvanvleet's Repositories
mvanvleet/p2p-fitting
Fitting codes for obtaining both transferable dispersion coefficients and isotropic dipole polarizabilities. Original author: Jesse G. McDaniel
mvanvleet/cc-reduction-ncnpt
Gaussian input/output files and resulting optimized structures related to the manuscript __________
mvanvleet/chemistry
A simple set of scripts for performing stoichiometry-based tasks.
mvanvleet/mvanvleet.github.io
mvanvleet/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
mvanvleet/pchem-ii
Resources for SCHE 346
mvanvleet/pointer
mvanvleet/psi4education
Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.
mvanvleet/pyridonate-ch-bond-activation
mvanvleet/spelman_faculty_handbook
Demo for a Version-Controlled Faculty Handbook
mvanvleet/Thesis
mvanvleet/workflow-for-force-fields
Streamline ab initio, SAPT-based force field development for any system.