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alexvakimov

alexvakimov

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Company:University at Buffalo

Location:Buffalo, NY

Home Page:https://akimovlab.github.io/

Twitter:@AkimovLab

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Quantum-Dynamics-Hub

alexvakimov's starred repositories

polarization_integrals

Efficient C++ implementation of the polarization integrals according to Schwerdtfeger et al. Phys. Rev. A 37, 2834-2842

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2022-meeting

CSSI PI Meeting 2022

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Cyber_Training_Workshop_2022

CyberTraining workshop 2022

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JADE-NAMD

JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation

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unixmd

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MIWCode

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ctramer

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libsde

libSDE is an open-source Java library for simulating systems of stochastic differential equations (SDEs).

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CAT

A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.

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NEXMD

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pySpawn17

A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations

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Project_HEOM

The working files and examples from HEOM in Libra are contained here.

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Pysces

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Surface_Hopping

Fewest Switches Surface Hopping (1990)

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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: →

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HEOM_Amber

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pySpawn17

A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations

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qm-tools

MolSSI Quantum Mechanics Tools workshop

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CMS-Python-DevOps

This is the older version of our Python Package Development Workshop - Please see our updated materials -

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python_scripting_cms

Python Data and Scripting course for computational chemists

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lesson-template

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dwave-system

An API for easily incorporating the D-Wave system as a sampler, either directly or through Leap's cloud-based hybrid samplers

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dwave-ocean-sdk

Installer for D-Wave's Ocean tools

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sharc

The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.

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mqds

A High-Performance Molecular Quantum Dynamics and Spectroscopy package for general system-bath problems

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xtensor

C++ tensors with broadcasting and lazy computing

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TTSOFT

J. Chem. Theory Comput. 13: 4034-4042 (2017)

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FGR

Equilibrium and Non-Equilibrium Fermi's Golden Rule for Charge Transfer Rates

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hybrid-perovskites

DFT optimised crystal structures of inorganic and hybrid halide perovskites

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qutip

QuTiP: Quantum Toolbox in Python

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