alexvakimov
I am an Associate Professor of Chemistry at the University at Buffalo (UB). The research of my group focuses on the methodology development for quantum dynamics
University at BuffaloBuffalo, NY
Pinned Repositories
AkimovLab.github.io
CHE512-Spring2023
CHE516B_my_test_1
chronusq_public
The public repository of the Chronus Quantum (ChronusQ) Software Package
compchem-cybertraining.github.io
Cyber_Training_Workshop_2021
Cyber_Training_Workshop_2023
CyberTraining workshop 2023
molecool
Example project for the MolSSI at Buffalo, 2020
pyxaid-code
The main branch of the Pyxaid code
Universal_Lecture_Notes
alexvakimov's Repositories
alexvakimov/pyxaid-code
The main branch of the Pyxaid code
alexvakimov/Universal_Lecture_Notes
alexvakimov/molecool
Example project for the MolSSI at Buffalo, 2020
alexvakimov/AkimovLab.github.io
alexvakimov/CHE512-Spring2023
alexvakimov/CHE516B_my_test_1
alexvakimov/chronusq_public
The public repository of the Chronus Quantum (ChronusQ) Software Package
alexvakimov/compchem-cybertraining.github.io
alexvakimov/Cyber_Training_Workshop_2021
alexvakimov/Cyber_Training_Workshop_2023
CyberTraining workshop 2023
alexvakimov/Derivatory
The collection of important detailed derivations of various theoretical and computational chemistry formalisms
alexvakimov/eigen-git-mirror
Git mirror of the official Eigen's repository -- PULL REQUEST MUST BE SENT TO: https://bitbucket.org/eigen/eigen
alexvakimov/ISDB
Input (and) Structure Data Base
alexvakimov/lesson-template
alexvakimov/libra-code
alexvakimov/machine-learning-project-walkthrough
An implementation of a complete machine learning solution in Python on a real-world dataset. This project is meant to demonstrate how all the steps of a machine learning pipeline come together to solve a problem!
alexvakimov/MIWCode
alexvakimov/molssi_teach_the_teachers_2019
Materials from the MolSSI's "Teach the Teachers Workshop"
alexvakimov/periodic-table
alexvakimov/polarization_integrals
Efficient C++ implementation of the polarization integrals according to Schwerdtfeger et al. Phys. Rev. A 37, 2834-2842
alexvakimov/Project-XF-methods
alexvakimov/python_scripting_cms
Python Data and Scripting course for computational chemists
alexvakimov/qmflows-namd
Package to calculate several properties related to the Nonadiabatic behaviour of a molecular system.
alexvakimov/Quantum_Mechanics
alexvakimov/REPOSITORIES_HAVE_MOVED
alexvakimov/SC-IVR-Code-Package
The SC-Corr Code Package is a FORTRAN-based program that contains various ways of computing the real-time correlation function under the semiclassical initial value representation.
alexvakimov/StrapDown.js
:sparkles: StrapDown.js is an awesome javascript tool to quickly publish nice-looking web-pages in pure Markdown :pencil:, with no server side compilation :sunglasses: →
alexvakimov/test_CHE512
test github repo
alexvakimov/workshop-template
Rendering of the workshop-template site
alexvakimov/xtensor
C++ tensors with broadcasting and lazy computing