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The Journal of Physical Chemistry. B
|
May 16, 2025
Implicit Solvent Sample-Based Quantum Diagonalization
Danil Kaliakin, Akhil Shajan, Fangchun Liang, et al.
Journal of Chemical Theory and Computation
|
August 2, 2025
Population Dynamics of a Photon-Only Molecular Motor Shows That Mode Synchronization and Transient Binding Determine the Rotary Quantum Efficiency
Alejandro Blanco-Gonzalez, Danil Kaliakin, Michael Filatov Gulak, et al.
Journal of Chemical Theory and Computation
|
November 8, 2023
Assessment of the Electron Correlation Treatment on the Quantum-Classical Dynamics of Retinal Protonated Schiff Base Models: XMS-CASPT2, RMS-CASPT2, and REKS Methods
Leonardo Barneschi, Danil Kaliakin, Miquel Huix-Rotllant, et al.
Journal of Chemical Theory and Computation
|
June 15, 2026
Quantum-Centric Alchemical Free Energy Calculations
Milana Bazayeva, Zhen Li, Danil Kaliakin, et al.
Journal of Chemical Theory and Computation
|
June 4, 2026
Molecular Quantum Computations on a Protein
Akhil Shajan, Danil Kaliakin, Fangchun Liang, et al.
Nature Communications
|
October 28, 2022
On the fluorescence enhancement of arch neuronal optogenetic reporters
Leonardo Barneschi, Emanuele Marsili, Laura Pedraza-González, 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 Theory
Akhil Shajan, Danil Kaliakin, Abhishek Mitra, et al.
Nature Communications
|
December 8, 2022
Author Correction: Towards the engineering of a photon-only two-stroke rotary molecular motor
Michael Filatov Gulak, Marco Paolino, Robin Pierron, et al.
Nature Communications
|
October 28, 2022
Towards the engineering of a photon-only two-stroke rotary molecular motor
Michael Filatov Gulak, Marco Paolino, Robin Pierron, et al.
Research Square
|
April 1, 2025
Accurate quantum-centric simulations of supramolecular interactions
Danil Kaliakin, Akhil Shajan, Javier Robledo Moreno, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. B
|
May 16, 2025
Implicit Solvent Sample-Based Quantum Diagonalization
Danil Kaliakin, Akhil Shajan, Fangchun Liang, et al.
Journal of Chemical Theory and Computation
|
August 2, 2025
Population Dynamics of a Photon-Only Molecular Motor Shows That Mode Synchronization and Transient Binding Determine the Rotary Quantum Efficiency
Alejandro Blanco-Gonzalez, Danil Kaliakin, Michael Filatov Gulak, et al.
Journal of Chemical Theory and Computation
|
November 8, 2023
Assessment of the Electron Correlation Treatment on the Quantum-Classical Dynamics of Retinal Protonated Schiff Base Models: XMS-CASPT2, RMS-CASPT2, and REKS Methods
Leonardo Barneschi, Danil Kaliakin, Miquel Huix-Rotllant, et al.
Journal of Chemical Theory and Computation
|
June 15, 2026
Quantum-Centric Alchemical Free Energy Calculations
Milana Bazayeva, Zhen Li, Danil Kaliakin, et al.
Journal of Chemical Theory and Computation
|
June 4, 2026
Molecular Quantum Computations on a Protein
Akhil Shajan, Danil Kaliakin, Fangchun Liang, et al.
Nature Communications
|
October 28, 2022
On the fluorescence enhancement of arch neuronal optogenetic reporters
Leonardo Barneschi, Emanuele Marsili, Laura Pedraza-González, 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 Theory
Akhil Shajan, Danil Kaliakin, Abhishek Mitra, et al.
Nature Communications
|
December 8, 2022
Author Correction: Towards the engineering of a photon-only two-stroke rotary molecular motor
Michael Filatov Gulak, Marco Paolino, Robin Pierron, et al.
Nature Communications
|
October 28, 2022
Towards the engineering of a photon-only two-stroke rotary molecular motor
Michael Filatov Gulak, Marco Paolino, Robin Pierron, et al.
Research Square
|
April 1, 2025
Accurate quantum-centric simulations of supramolecular interactions
Danil Kaliakin, Akhil Shajan, Javier Robledo Moreno, et al.
Page
of 2