Víctor S. Batista

Yale University — United States

Physics and Astronomy · Physical Sciences

79h-index21.8kcitations628works4.52yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(151), Photosynthetic Processes and Mechanisms(72), Electrocatalysts for Energy Conversion(62), Photoreceptor and optogenetics research(51), Crystallization and Solubility Studies(49)

Publications628 total

Qumode-Based Variational Quantum Eigensolver for Molecular Excited States
Journal of Chemical Theory and Computation·2026Open Access
Nonadiabatic H-atom scattering channels on Ge(111) elucidated by the hierarchical equations of motion
The Journal of Chemical Physics·2026Open Access
Introduction: Quantum Computing
Chemical Reviews·2026
Dual-state stepwise methane-to-methanol conversion by water droplets with excellent yield and selectivity
Proceedings of the National Academy of Sciences·2025Open Access
Distal Mutations Rewire Allosteric Networks to Control Substrate Specificity in PTP1B
Biochemistry·2025· 1 citedOpen Access
Error-Mitigation Enabled Multicomponent Quantum Simulations Beyond the Born-Oppenheimer Approximation
arXiv (Cornell University)·2025Open Access
A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25–100 Logical Qubits
Journal of Chemical Theory and Computation·2025· 3 cited
Electrochemical Deposition of an <i>N</i> -Heterocyclic Carbene (NHC) Functionalized CO <sub>2</sub> Reduction Catalyst on Au Electrodes
Journal of the American Chemical Society·2025
Nanotechnology for catalysis and solar energy conversion
UNC Libraries·2025Open Access
Atomistic modulation of <scp>MIF</scp> ‐2 structure, catalysis, and biological signaling via cysteine residues and a small molecule, Ebselen
Protein Science·2025· 1 citedOpen Access
EvolvedComplexity as a Total Synthesis Assessment Metric: Strychnine as a Case Study of Scoring Functions
The Journal of Organic Chemistry·2025
Rational Pathways Tuning Facilitates Photoelectrochemical Upcycling of Nitrite to Ammonia Using CuPd Nanoalloy on GaN/Si Photocathode
Environmental Science & Technology·2025· 1 cited
FragmentRetro: A Quadratic Retrosynthetic Method Based on Fragmentation Algorithms
ArXiv.org·2025Open Access
Interfacial Self-Assembly of Sugars at Nanoscale Membranes Leads to Micron-Scale, Spectroscopically Ice-Like Chiral Suprastructures of Water
Journal of the American Chemical Society·2025Open Access
Correction to “A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular Generation”
Journal of Chemical Theory and Computation·2025
Dynamic and structural insights into allosteric regulation on MKP5 a dual-specificity phosphatase
Nature Communications·2025· 1 citedOpen Access
QOBRA: A Quantum Operator-Based Autoencoder for <i>De Novo</i> Molecular Design
2025Open Access
Competitive Carbonate Binding Hinders Electrochemical CO<sub>2</sub> Reduction to CO on Cu Surfaces at Low Overpotentials
Journal of the American Chemical Society·2025· 5 citedOpen Access
Metal-Dependent Asynchronicity of Concerted Proton–Electron Transfer to a High-Valent Copper(III) Complex and Its Nickel(III) Analogue
Inorganic Chemistry·2025· 5 cited
A Computational Framework for Simulations of Dissipative Nonadiabatic Dynamics on Hybrid Oscillator-Qubit Quantum Devices
Journal of Chemical Theory and Computation·2025· 2 citedOpen Access
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Frequent Co-authors

Gary W. Brudvig(18), Ke Yang(8), Charles A. Schmuttenmaer(6), Robert H. Crabtree(6), Ivan Rivalta(6), José A. Gascón(5), James P. McEvoy(5), Robert C. Snoeberger(4), Eduardo M. Sproviero(4), Steven J. Konezny(4), Rebecca L. Milot(3), Mehmed Z. Ertem(3), Benjamin Rudshteyn(3), Sandra Luber(3), Atanu Acharya(3), Giulia Palermo(3), Tianquan Lian(3), Wen Liu(2), Zhe Weng(2), Yueshen Wu(2)