2021
Functional Tensor-Train Chebyshev Method for Multidimensional Quantum Dynamics Simulations
Soley M, Bergold P, Gorodetsky A, Batista V. Functional Tensor-Train Chebyshev Method for Multidimensional Quantum Dynamics Simulations. Journal Of Chemical Theory And Computation 2021, 18: 25-36. PMID: 34898201, DOI: 10.1021/acs.jctc.1c00941.Peer-Reviewed Original ResearchQuantum dynamics simulationsQuantum dynamicsMultidimensional quantum dynamicsHydrogen-bonded DNA base pairsChebyshev methodQuantum effectsTensor train formatDynamics simulationsElectronic configurationRearrangement of protonsInitial stateTheoretical studyEfficient simulationPropagation schemeDNA base pairsChemical systemsProtonsSimulationsDynamics
2012
Tunneling through Coulombic barriers: quantum control of nuclear fusion
Saha R, Markmann A, Batista V. Tunneling through Coulombic barriers: quantum control of nuclear fusion. Molecular Physics 2012, 110: 995-999. DOI: 10.1080/00268976.2012.679635.Peer-Reviewed Original ResearchNuclear fusionCoherent control schemeLow-energy collisionsQuantum control scenariosQuantum dynamicsIonization pulseQuantum tunnelingEnergy collisionsReactive scatteringCoulombic barrierInterference phenomenaForbidden regionsProton transferConfiguration spaceSimple modelPossible enhancementScatteringTunnelingPulsesCollisionsProtonsDynamicsA tridentate Ni pincer for aqueous electrocatalytic hydrogen production
Luca O, Konezny S, Blakemore J, Colosi D, Saha S, Brudvig G, Batista V, Crabtree R. A tridentate Ni pincer for aqueous electrocatalytic hydrogen production. New Journal Of Chemistry 2012, 36: 1149-1152. DOI: 10.1039/c2nj20912h.Peer-Reviewed Original Research