Repositories list

• Project_adamantanes

  Public
  Jupyter Notebook

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  Creative Commons Zero v1.0 Universal

  •22 forks in AkimovLab/Project_adamantanes•00 stars in AkimovLab/Project_adamantanes•00 issues in AkimovLab/Project_adamantanes•11 pull request in AkimovLab/Project_adamantanes•Updated Sep 18, 2026Sep 18, 2026

• Project_LD_active_space_selection

  Public
  Python

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  Creative Commons Zero v1.0 Universal

  •00 forks in AkimovLab/Project_LD_active_space_selection•00 stars in AkimovLab/Project_LD_active_space_selection•00 issues in AkimovLab/Project_LD_active_space_selection•00 pull requests in AkimovLab/Project_LD_active_space_selection•Updated Sep 12, 2026Sep 12, 2026

• AkimovLab.github.io

  Public
  https://akimovlab.github.io/

  HTML

  •1414 forks in AkimovLab/AkimovLab.github.io•22 stars in AkimovLab/AkimovLab.github.io•00 issues in AkimovLab/AkimovLab.github.io•00 pull requests in AkimovLab/AkimovLab.github.io•Updated Aug 20, 2026Aug 20, 2026

• Project_CZTS

  Public
  Python

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  Creative Commons Zero v1.0 Universal

  •11 fork in AkimovLab/Project_CZTS•00 stars in AkimovLab/Project_CZTS•00 issues in AkimovLab/Project_CZTS•00 pull requests in AkimovLab/Project_CZTS•Updated Jul 22, 2026Jul 22, 2026

• Project_TiO2_fluxionality

  Public
  Python

  •11 fork in AkimovLab/Project_TiO2_fluxionality•00 stars in AkimovLab/Project_TiO2_fluxionality•00 issues in AkimovLab/Project_TiO2_fluxionality•00 pull requests in AkimovLab/Project_TiO2_fluxionality•Updated Jun 17, 2026Jun 17, 2026

• Project_small_TiO2_clusters

  Public
  Python

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  Creative Commons Zero v1.0 Universal

  •11 fork in AkimovLab/Project_small_TiO2_clusters•00 stars in AkimovLab/Project_small_TiO2_clusters•00 issues in AkimovLab/Project_small_TiO2_clusters•00 pull requests in AkimovLab/Project_small_TiO2_clusters•Updated Apr 8, 2026Apr 8, 2026

• Project_NAMD_assessment

  Public
  Jupyter Notebook

  •11 fork in AkimovLab/Project_NAMD_assessment•00 stars in AkimovLab/Project_NAMD_assessment•00 issues in AkimovLab/Project_NAMD_assessment•00 pull requests in AkimovLab/Project_NAMD_assessment•Updated Feb 2, 2026Feb 2, 2026

• Project_Fullerenes

  Public
  Jupyter Notebook

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  Creative Commons Zero v1.0 Universal

  •11 fork in AkimovLab/Project_Fullerenes•00 stars in AkimovLab/Project_Fullerenes•00 issues in AkimovLab/Project_Fullerenes•00 pull requests in AkimovLab/Project_Fullerenes•Updated Dec 25, 2025Dec 25, 2025

• OpenPhysChem

  Public
  Physical Chemistry Theory and Problems - to be used for various PChem courses

  Jupyter Notebook

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  Creative Commons Zero v1.0 Universal

  •00 forks in AkimovLab/OpenPhysChem•00 stars in AkimovLab/OpenPhysChem•00 issues in AkimovLab/OpenPhysChem•00 pull requests in AkimovLab/OpenPhysChem•Updated Nov 18, 2025Nov 18, 2025

• Project_Bohmian

  Public
  Quantum trajectory calculations made stable with Lorentzian trajectory basis functions

  Jupyter Notebook

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  GNU General Public License v3.0

  •00 forks in AkimovLab/Project_Bohmian•00 stars in AkimovLab/Project_Bohmian•00 issues in AkimovLab/Project_Bohmian•00 pull requests in AkimovLab/Project_Bohmian•Updated Oct 2, 2025Oct 2, 2025

• Project_Elo_N_Tasks

  Public
  Jupyter Notebook

  •00 forks in AkimovLab/Project_Elo_N_Tasks•00 stars in AkimovLab/Project_Elo_N_Tasks•00 issues in AkimovLab/Project_Elo_N_Tasks•00 pull requests in AkimovLab/Project_Elo_N_Tasks•Updated Sep 28, 2025Sep 28, 2025

• Project_Libra_MOPAC

  Public
  Creative Commons Zero v1.0 Universal

  •00 forks in AkimovLab/Project_Libra_MOPAC•11 star in AkimovLab/Project_Libra_MOPAC•00 issues in AkimovLab/Project_Libra_MOPAC•00 pull requests in AkimovLab/Project_Libra_MOPAC•Updated Sep 16, 2025Sep 16, 2025

• Project_ML_BP_revision1

  Public
  Jupyter Notebook

  •22 forks in AkimovLab/Project_ML_BP_revision1•00 stars in AkimovLab/Project_ML_BP_revision1•00 issues in AkimovLab/Project_ML_BP_revision1•00 pull requests in AkimovLab/Project_ML_BP_revision1•Updated Jul 13, 2025Jul 13, 2025

• Project_RPI

  Public
  Python

  •11 fork in AkimovLab/Project_RPI•00 stars in AkimovLab/Project_RPI•00 issues in AkimovLab/Project_RPI•00 pull requests in AkimovLab/Project_RPI•Updated May 17, 2025May 17, 2025

• Project_MLBP_excitonic

  Public
  Jupyter Notebook

  •11 fork in AkimovLab/Project_MLBP_excitonic•00 stars in AkimovLab/Project_MLBP_excitonic•00 issues in AkimovLab/Project_MLBP_excitonic•00 pull requests in AkimovLab/Project_MLBP_excitonic•Updated May 9, 2025May 9, 2025

• Computational_Chemistry_with_NWChem

  Public
  The Physical Chemistry Lab (CHE 330) course, or at least some of the related materials

  Python

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  Creative Commons Zero v1.0 Universal

  •00 forks in AkimovLab/Computational_Chemistry_with_NWChem•00 stars in AkimovLab/Computational_Chemistry_with_NWChem•00 issues in AkimovLab/Computational_Chemistry_with_NWChem•00 pull requests in AkimovLab/Computational_Chemistry_with_NWChem•Updated Mar 31, 2025Mar 31, 2025

• Project_QTSH

  Public
  Python

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  Creative Commons Zero v1.0 Universal

  •11 fork in AkimovLab/Project_QTSH•00 stars in AkimovLab/Project_QTSH•00 issues in AkimovLab/Project_QTSH•00 pull requests in AkimovLab/Project_QTSH•Updated Dec 21, 2024Dec 21, 2024

• Project_ML_EFG

  Public
  Python

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  Creative Commons Zero v1.0 Universal

  •11 fork in AkimovLab/Project_ML_EFG•00 stars in AkimovLab/Project_ML_EFG•00 issues in AkimovLab/Project_ML_EFG•00 pull requests in AkimovLab/Project_ML_EFG•Updated Nov 14, 2024Nov 14, 2024

• Project_F_tracking

  Public
  Energy and Force based algorithm for identification of trivial crossings

  Jupyter Notebook

  •00 forks in AkimovLab/Project_F_tracking•00 stars in AkimovLab/Project_F_tracking•00 issues in AkimovLab/Project_F_tracking•00 pull requests in AkimovLab/Project_F_tracking•Updated Nov 6, 2024Nov 6, 2024

• Project_TiO2_water_methods_assessment

  Public
  Python

  •11 fork in AkimovLab/Project_TiO2_water_methods_assessment•00 stars in AkimovLab/Project_TiO2_water_methods_assessment•00 issues in AkimovLab/Project_TiO2_water_methods_assessment•00 pull requests in AkimovLab/Project_TiO2_water_methods_assessment•Updated Sep 4, 2024Sep 4, 2024

• Project_FSSH-3

  Public
  Jupyter Notebook

  •00 forks in AkimovLab/Project_FSSH-3•00 stars in AkimovLab/Project_FSSH-3•00 issues in AkimovLab/Project_FSSH-3•00 pull requests in AkimovLab/Project_FSSH-3•Updated Jun 13, 2024Jun 13, 2024

• Project_Libra-eQE

  Public
  Jupyter Notebook

  •11 fork in AkimovLab/Project_Libra-eQE•00 stars in AkimovLab/Project_Libra-eQE•00 issues in AkimovLab/Project_Libra-eQE•00 pull requests in AkimovLab/Project_Libra-eQE•Updated Apr 22, 2024Apr 22, 2024

• Project_XF_methods_assessment

  Public
  Python

  •11 fork in AkimovLab/Project_XF_methods_assessment•00 stars in AkimovLab/Project_XF_methods_assessment•00 issues in AkimovLab/Project_XF_methods_assessment•00 pull requests in AkimovLab/Project_XF_methods_assessment•Updated Mar 17, 2024Mar 17, 2024

• Project_ML_Ham_for_NAMD

  Public
  Python

  •11 fork in AkimovLab/Project_ML_Ham_for_NAMD•11 star in AkimovLab/Project_ML_Ham_for_NAMD•00 issues in AkimovLab/Project_ML_Ham_for_NAMD•00 pull requests in AkimovLab/Project_ML_Ham_for_NAMD•Updated Mar 5, 2024Mar 5, 2024

• Project_pysycomp

  Public
  Documentation of the Pysces code

  Jupyter Notebook

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  GNU General Public License v3.0

  •33 forks in AkimovLab/Project_pysycomp•00 stars in AkimovLab/Project_pysycomp•00 issues in AkimovLab/Project_pysycomp•00 pull requests in AkimovLab/Project_pysycomp•Updated Jan 18, 2024Jan 18, 2024

• Project-TC-NBRA

  Public
  Data files, figures, and scripts for the thermally-corrected NBRA project

  Jupyter Notebook

  •00 forks in AkimovLab/Project-TC-NBRA•00 stars in AkimovLab/Project-TC-NBRA•00 issues in AkimovLab/Project-TC-NBRA•00 pull requests in AkimovLab/Project-TC-NBRA•Updated Nov 26, 2023Nov 26, 2023

• CHE512-Spring2023

  Public
  Jupyter Notebook

  •66 forks in AkimovLab/CHE512-Spring2023•00 stars in AkimovLab/CHE512-Spring2023•00 issues in AkimovLab/CHE512-Spring2023•00 pull requests in AkimovLab/CHE512-Spring2023•Updated May 18, 2023May 18, 2023

• Project_NAMD_Integrators

  Public
  Python

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  GNU General Public License v3.0

  •11 fork in AkimovLab/Project_NAMD_Integrators•00 stars in AkimovLab/Project_NAMD_Integrators•00 issues in AkimovLab/Project_NAMD_Integrators•00 pull requests in AkimovLab/Project_NAMD_Integrators•Updated Feb 20, 2023Feb 20, 2023

• Project_Jacobs_ladder

  Public
  Jupyter Notebook

  •11 fork in AkimovLab/Project_Jacobs_ladder•00 stars in AkimovLab/Project_Jacobs_ladder•00 issues in AkimovLab/Project_Jacobs_ladder•00 pull requests in AkimovLab/Project_Jacobs_ladder•Updated Feb 9, 2023Feb 9, 2023

• Project-C3N4

  Public
  Python

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  Creative Commons Zero v1.0 Universal

  •22 forks in AkimovLab/Project-C3N4•22 stars in AkimovLab/Project-C3N4•00 issues in AkimovLab/Project-C3N4•00 pull requests in AkimovLab/Project-C3N4•Updated Jan 5, 2023Jan 5, 2023