MV
Mohammad Ghazi Vakili
physics.chem-phquant-phcs.AIcs.MAcs.LGAI for scienceAlgorithmsAntineoplastic Agentsautonomous workflowscs.CE
On Valency
published · living versionsW_z5qwyvew·v1 · currentpublished
El Agente Fármaco: A Scalable AI Scientist for Drug Discovery
with Marcel Müller, Yoshihiro Ogura, Ella Ashoori, Shimeng Wang +11
1 version
Preprints & journals
13 papers in the corpus · 2021–2026El agente cuántico: automating quantum simulations.42431214 · Gustin, Ignacio, Mantilla Calderón, Luis, Pérez-Sánchez, Juan B et al.2026 · 5 citationsReports on progress in physics. Physical Society (Great Britain). 2026;89(7)
Auger Spectroscopy via Generative Quantum Eigensolver: A Quantum Approach to Molecular Excitations2603.12859v1 · Kimberlee Keithley, Shunsuke Yamamoto, Ryota Kenmoku et al.2026 · 0 citationsarXiv
Coupled Cluster con MōLe: Molecular Orbital Learning for Neural Wavefunctions2602.20232v1 · Luca Thiede, Abdulrahman Aldossary, Andreas Burger et al.2026 · 0 citationsarXiv
Quantum algorithms for ligand design in drug discovery.41731697 · Ghazi Vakili, Mohammad, Nascimento, Alessandro S, Aspuru-Guzik, Alán2026 · 0 citationsExpert opinion on drug discovery. 2026;21(3):245-247
El Agente Gráfico: A Semantic Execution Runtime for Scientific Agents2602.17902v2 · Jiaru Bai, Abdulrahman Aldossary, Thomas Swanick et al.2026 · 4 citationsarXiv
El Agente Estructural: An Artificially Intelligent Molecular Editor2602.04849v2 · Changhyeok Choi, Yunheng Zou, Marcel Muller et al.2026 · 3 citationsarXiv
El Agente Quntur: A research collaborator agent for quantum chemistry2602.04850v3 · Juan B. P'erez-S'anchez, Yunheng Zou, Jorge A. Campos-Gonzalez-Angulo et al.2026 · 2 citationsarXiv
Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors.39843581 · Ghazi Vakili, Mohammad, Gorgulla, Christoph, Snider, Jamie et al.2025 · 76 citationsNature biotechnology. 2025;43(12):1954-1959
Enhancing combinatorial optimization with classical and quantum generative models.38553469 · Alcazar, Javier, Ghazi Vakili, Mohammad, Kalayci, Can B et al.2024 · 41 citationsNature communications. 2024;15(1):2761
Quantum Computing-Enhanced Algorithm Unveils Novel Inhibitors for KRAS2402.08210v1 · Mohammad Ghazi Vakili, Christoph Gorgulla, AkshatKumar Nigam et al.2024 · 9 citationsarXiv
The generative quantum eigensolver (GQE) and its application for ground state search2401.09253v2 · Kouhei Nakaji, Lasse Bj\orn Kristensen, Ryota Kemmoku et al.2024 · 10 citationsarXiv
ChemOS 2.0: an orchestration architecture for chemical self-driving laboratories10.26434/chemrxiv-2023-v2khf · Malcolm Sim, Mohammad Ghazi Vakili, Felix Strieth-Kalthoff et al.2023 · 105 citationsChemRxiv
GEO: Enhancing Combinatorial Optimization with Classical and Quantum Generative Models2101.06250v2 · Javier Alcazar, Mohammad Ghazi Vakili, Can B. Kalayci et al.2021 · 3 citationsarXiv
Career total: 27 works. 13 are in this corpus.
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