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Physical Review Letters|November 17, 2025
Nonequilibrium Thermodynamics of Precision through a Quantum-Centric ComputationMario Motta, Antonio Mezzacapo, Giacomo GuarnieriJournal of Chemical Theory and Computation|May 25, 2023
Hierarchical Clifford Transformations to Reduce Entanglement in Quantum Chemistry Wave FunctionsRyan V Mishmash, Tanvi P Gujarati, Mario Motta, et al.Journal of Chemical Theory and Computation|June 4, 2026
Molecular Quantum Computations on a ProteinAkhil Shajan, Danil Kaliakin, Fangchun Liang, et al.Nature Communications|May 14, 2020
Fermionic neural-network states for ab-initio electronic structureKenny Choo, Antonio Mezzacapo, Giuseppe CarleoResearch Square|April 1, 2025
Accurate quantum-centric simulations of supramolecular interactionsDanil Kaliakin, Akhil Shajan, Javier Robledo Moreno, et al.Physical Review Letters|October 1, 2021
Erratum: Steady-State Coherences by Composite System-Bath Interactions [Phys. Rev. Lett. 121, 070401 (2018)]Giacomo Guarnieri, Michal Kolář, Radim FilipPhysical Review Letters|September 1, 2018
Steady-State Coherences by Composite System-Bath InteractionsGiacomo Guarnieri, Michal Kolář, Radim FilipJournal 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.Entropy (Basel, Switzerland)|December 8, 2020
Quantum Work Statistics with Initial CoherenceMaría García Díaz, Giacomo Guarnieri, Mauro PaternostroCommunications Physics|October 13, 2025
Accurate quantum-centric simulations of intermolecular interactionsDanil Kaliakin, Akhil Shajan, Fangchun Liang, et al.Pageof 12