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Akhil Shajan

Showing results (1-10 of 8) with videos related to

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The Journal of Physical Chemistry. B|May 16, 2025
Implicit Solvent Sample-Based Quantum DiagonalizationDanil Kaliakin, Akhil Shajan, Fangchun Liang, et al.
Journal of Chemical Theory and Computation|October 23, 2023
Geometry Optimization: A Comparison of Different Open-Source Geometry OptimizersAkhil Shajan, Madushanka Manathunga, Andreas W Götz, et al.
Journal of Chemical Theory and Computation|June 15, 2026
Quantum-Centric Alchemical Free Energy CalculationsMilana Bazayeva, Zhen Li, Danil Kaliakin, et al.
Journal of Chemical Theory and Computation|June 4, 2026
Molecular Quantum Computations on a ProteinAkhil Shajan, Danil Kaliakin, Fangchun Liang, et al.
Research Square|April 1, 2025
Accurate quantum-centric simulations of supramolecular interactionsDanil Kaliakin, Akhil Shajan, Javier Robledo Moreno, et al.
Journal of Chemical Theory and Computation|July 8, 2025
Toward Quantum-Centric Simulations of Extended Molecules: Sample-Based Quantum Diagonalization Enhanced with Density Matrix Embedding TheoryAkhil Shajan, Danil Kaliakin, Abhishek Mitra, et al.
Communications Physics|October 13, 2025
Accurate quantum-centric simulations of intermolecular interactionsDanil Kaliakin, Akhil Shajan, Fangchun Liang, et al.
Journal of Chemical Information and Modeling|October 8, 2023
AmberToolsDavid A Case, Hasan Metin Aktulga, Kellon Belfon, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. B|May 16, 2025
Implicit Solvent Sample-Based Quantum DiagonalizationDanil Kaliakin, Akhil Shajan, Fangchun Liang, et al.
Journal of Chemical Theory and Computation|October 23, 2023
Geometry Optimization: A Comparison of Different Open-Source Geometry OptimizersAkhil Shajan, Madushanka Manathunga, Andreas W Götz, et al.
Journal of Chemical Theory and Computation|June 15, 2026
Quantum-Centric Alchemical Free Energy CalculationsMilana Bazayeva, Zhen Li, Danil Kaliakin, et al.
Journal of Chemical Theory and Computation|June 4, 2026
Molecular Quantum Computations on a ProteinAkhil Shajan, Danil Kaliakin, Fangchun Liang, et al.
Research Square|April 1, 2025
Accurate quantum-centric simulations of supramolecular interactionsDanil Kaliakin, Akhil Shajan, Javier Robledo Moreno, et al.
Journal of Chemical Theory and Computation|July 8, 2025
Toward Quantum-Centric Simulations of Extended Molecules: Sample-Based Quantum Diagonalization Enhanced with Density Matrix Embedding TheoryAkhil Shajan, Danil Kaliakin, Abhishek Mitra, et al.
Communications Physics|October 13, 2025
Accurate quantum-centric simulations of intermolecular interactionsDanil Kaliakin, Akhil Shajan, Fangchun Liang, et al.
Journal of Chemical Information and Modeling|October 8, 2023
AmberToolsDavid A Case, Hasan Metin Aktulga, Kellon Belfon, et al.
Pageof 1