Danil S Kaliakin

14PUBLICATIONS
114CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistryAutonomous vehicle systemsReaction kinetics and dynamicsProgramming languages
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Publications (14)

|Jun 15, 2026
Quantum-Centric Alchemical Free Energy Calculations.

|Jun 04, 2026
Molecular Quantum Computations on a Protein.

|Aug 02, 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

|Jul 08, 2025
Toward Quantum-Centric Simulations of Extended Molecules: Sample-Based Quantum Diagonalization Enhanced with Density Matrix Embedding Theory.

Akhil Shajan, Danil Kaliakin, Abhishek Mitra

|May 16, 2025
Implicit Solvent Sample-Based Quantum Diagonalization.

Danil Kaliakin, Akhil Shajan, Fangchun Liang

|Dec 06, 2023
Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories.

Meseret Simachew Bezabih, Danil S Kaliakin, Alejandro Blanco-González

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Frequent Collaborators

6 joint publications

Alejandro Blanco-González

6 joint publications

Massimo Olivucci

5 joint publications

Michael Filatov Gulak

4 joint publications

Akhil Shajan