Victor Batista

2026

• Quantum Chess as a Pedagogical Tool for Teaching Quantum Information Science in High Schools

  Kaushik P, Vu N, Yeung C, Tadisina S, Boyle L, Venkatesh V, Zilberstein M, Sorak N, Subedi K, Cabral D, Allen B, Batista V, Hendrickson H. Quantum Chess as a Pedagogical Tool for Teaching Quantum Information Science in High Schools. Journal Of Chemical Education 2026 DOI: 10.1021/acs.jchemed.5c00836.

  Peer-Reviewed Original Research

• Solving Constrained Optimization Problems Using Hybrid Qubit-Qumode Quantum Devices

  Dutta R, Allen B, Xu C, Vu N, Liu K, Miao F, Wang B, Surana A, Wang C, Ding Y, Batista V. Solving Constrained Optimization Problems Using Hybrid Qubit-Qumode Quantum Devices. Journal Of Chemical Theory And Computation 2026, 22: 5073-5089. PMID: 42133621, DOI: 10.1021/acs.jctc.6c00230.

  Peer-Reviewed Original Research

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• Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry

  Amaro R, Batista V, Blumberger J, Choong Y, Corminboeuf C, Cournia Z, Cui Q, De Vivo M, Evangelista F, Gao Y, Ghosh D, He X, Isayev O, Khalid S, Kirchmair J, Kitchin J, Liu H, Naidoo K, Nguyen D, Alves A, Palermo G, Savoie B, Soares T, Tiwary P, Wei G, Zheng X, Zhu T, Merz K, Gagliardi L. Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry. Journal Of Chemical Theory And Computation 2026, 22: 4199-4200. PMID: 42024259, DOI: 10.1021/acs.jctc.6c00733.

  Commentaries, Editorials and Letters

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• Insights on Covalent Attachment of a Re Bipyridyl Catalyst onto p‑Si(111) Using an Alkyl Linker for Photoelectrochemical CO2 Reduction

  Lee B, Miller C, Freeze J, Prabhakar R, Chen G, Okuno S, Lampert J, Batista V, Kubiak C. Insights on Covalent Attachment of a Re Bipyridyl Catalyst onto p‑Si(111) Using an Alkyl Linker for Photoelectrochemical CO2 Reduction. Inorganic Chemistry 2026, 65: 9669-9679. PMID: 42013113, DOI: 10.1021/acs.inorgchem.6c01231.

  Peer-Reviewed Original Research

• A Flexible Indolocarbazole Ligand Platform for Tunable Multinuclear Metal Complexes

  Decavoli C, Jelušić J, Krajewski S, Batista V, Brudvig G. A Flexible Indolocarbazole Ligand Platform for Tunable Multinuclear Metal Complexes. Journal Of The Chinese Chemical Society 2026 DOI: 10.1002/jccs.70197.

  Peer-Reviewed Original Research

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• Asymmetry Control in a Parametric Oscillator for the Quantum Simulation of Chemical Activation

  de Albornoz A, Cortiñas R, Schäfer M, Frattini N, Allen B, Cabral D, Videla P, Khazaei P, Geva E, Batista V, Devoret M. Asymmetry Control in a Parametric Oscillator for the Quantum Simulation of Chemical Activation. PRX Quantum 2026, 7: 020309. DOI: 10.1103/71yp-fqns.

  Peer-Reviewed Original Research

  Citations

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• Electrochemical Nitrate Reduction to Ammonia Driven by Catalytic Monovacancies in Single-Walled Carbon Nanotubes

  Jelušić J, Harmon N, Menzel J, Yang S, Bertrand Q, Wang H, Brudvig G, Batista V. Electrochemical Nitrate Reduction to Ammonia Driven by Catalytic Monovacancies in Single-Walled Carbon Nanotubes. The Journal Of Physical Chemistry Letters 2026, 17: 3331-3337. PMID: 41792087, DOI: 10.1021/acs.jpclett.6c00219.

  Peer-Reviewed Original Research

• Mechanism of Tyrosine-Driven Deprotonation in Photosystem II Revealed by Multiscale Simulations

  Liu J, Yang K, Lampert J, Armstrong W, Brudvig G, Batista V. Mechanism of Tyrosine-Driven Deprotonation in Photosystem II Revealed by Multiscale Simulations. Journal Of The American Chemical Society 2026, 148: 9255-9267. PMID: 41730138, DOI: 10.1021/jacs.5c13000.

  Peer-Reviewed Original Research

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  MeSH Keywords

• Computational Evolution of Anti-PD‑1 Antibodies Induces Structural Refolding for High-Affinity Interactions

  Shi Y, Kim Y, Liu P, Wang J, Tang S, Batista V. Computational Evolution of Anti-PD‑1 Antibodies Induces Structural Refolding for High-Affinity Interactions. Biochemistry 2026, 65: 517-520. PMID: 41671420, DOI: 10.1021/acs.biochem.5c00574.

  Peer-Reviewed Original Research

  Citations

  MeSH Keywords

• Error-Mitigation Enabled Multicomponent Quantum Simulations beyond the Born–Oppenheimer Approximation

  Cabral D, Allen B, Pavošević F, Hammes-Schiffer S, Díez-Valle P, Baker J, Saxena G, Kyaw T, Batista V. Error-Mitigation Enabled Multicomponent Quantum Simulations beyond the Born–Oppenheimer Approximation. Journal Of Chemical Theory And Computation 2026, 22: 1760-1769. PMID: 41665240, DOI: 10.1021/acs.jctc.5c01911.

  Peer-Reviewed Original Research

  Citations