Pinned Repositories
Chem_3150
A repository for Chem 3150 in Fall 2021
gmgauge
gym-multilayerthinfilm
The proposed OpenAI gym environment utilizes a parallelized transfer-matrix method (TMM) to implement the optimization of multi-layer thin films as parameterized Markov decision processes. Developed by Heribert Wankerl (@HarryTheBird) in cooperation with Alexander Luce (@Nerrror).
MolecularDynamics
Simple Molecular Dynamics code for Discovery-Driven approach to real gas properties.
Pearsons_mShere
Repository to host code used for PCC and other statistical analysis
psi4polaritonic
A repository for psi4numpy implementations of cqed_rhf and cqed_cis theories and includes scripts to run them for illustrative results.
PyCQED
Tools for simulating polaritonic dynamics using fewest-switching surface hopping and a non-Hermitian cavity CQED/model Hamiltonian approach.
quantum_twitch
wptherml
A python package for modeling light-matter interactions!
wptherml_v1.0.0
Pioneering the design of materials to harness heat.
FoleyLab's Repositories
FoleyLab/wptherml_v1.0.0
Pioneering the design of materials to harness heat.
FoleyLab/MolecularDynamics
Simple Molecular Dynamics code for Discovery-Driven approach to real gas properties.
FoleyLab/wptherml
A python package for modeling light-matter interactions!
FoleyLab/Chem_3150
A repository for Chem 3150 in Fall 2021
FoleyLab/psi4polaritonic
A repository for psi4numpy implementations of cqed_rhf and cqed_cis theories and includes scripts to run them for illustrative results.
FoleyLab/gym-multilayerthinfilm
The proposed OpenAI gym environment utilizes a parallelized transfer-matrix method (TMM) to implement the optimization of multi-layer thin films as parameterized Markov decision processes. Developed by Heribert Wankerl (@HarryTheBird) in cooperation with Alexander Luce (@Nerrror).
FoleyLab/PyCQED
Tools for simulating polaritonic dynamics using fewest-switching surface hopping and a non-Hermitian cavity CQED/model Hamiltonian approach.
FoleyLab/2021-Tapia-MolSSI
A repository for the 2019 Tapia-MolSSI workshop on computational chemistry.
FoleyLab/CHEM371-LW-QuantumChemistryLab
Course material for an undergraduate lab course on quantum chemistry
FoleyLab/escip.github.io
ESCIP website
FoleyLab/gmgauge
FoleyLab/Chem_3160
Repository for Jupyter Notebooks for CHEM 3160
FoleyLab/CompChem2024
Repository for notebooks for Chem 6004
FoleyLab/data_repository
A repository for json data from simulations
FoleyLab/FoleyLab.github.io
FoleyLab/forte
FoleyLab/hilbert
FoleyLab/molecool
A MolSSI Package
FoleyLab/normal-mode-jupyter
FoleyLab/pdaggerq
FoleyLab/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
FoleyLab/psi4education
Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.
FoleyLab/psi4numpy
Combining Psi4 and Numpy for education and development.
FoleyLab/PsiCon2020
materials from PsiCon 2020
FoleyLab/py_gmm
A Generalized Multiparticle Mie code, especially suited for plasmonics
FoleyLab/qmsolve
A module for solving and visualizing Schrödinger equation.
FoleyLab/QuantumChemistry2021
FoleyLab/SCF
SCF and CIS programming projects
FoleyLab/SCQED-PCQED
A repository for comparing parameterized and self-consistent approaches to ab initio cqed
FoleyLab/Tapia-MolSSI-2023
Repository for the 2023 Tapia-MolSSI Workshop at Rice University