Alan Aspuru-Guzik
- Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
2018/11/29 by Daniil Polykovskiy, Polykovskiy, Daniil, Alexander Zhebrak +29 · 1 voice · 53 citations
Computer Science · Mathematics · #Artificial Intelligence (cs.AI) #Databases (cs.DB) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #cs.AI #cs.DB #cs.LG #stat.ML
- Quantum computational chemistry
2018/08/30 by Sam McArdle, Suguru Endo, Alan Aspuru-Guzik +4 · 1 voice · 35 citations
Computer Science · Physics and Astronomy · #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum and electron transport phenomena #quant-ph
- Computational complexity in electronic structure
2012/08/16 by James D. Whitfield, James Whitfield, Peter J. Love +2 · 1 voice · 66 citations
Computer Science · Materials Science · Mathematics · Physics and Astronomy · #Algorithm #Artificial intelligence #Computational complexity theory #Computational model #Computer science #Graph theory and applications #Hilbert space #Machine Learning in Materials Science #Mathematics #Molecule #Perspective (graphical) #Physics #Point (geometry) #Quantum #Quantum Computing Algorithms and Architecture #Quantum chemistry #Quantum computer #Quantum mechanics #Theoretical computer science #cs.CC #physics.chem-ph #quant-ph
- The Kitaev–Feynman clock for open quantum systems
2014/06/21 by David G. Tempel, Alán Aspuru‐Guzik, Alan Aspuru-Guzik · 10 citations
Computer Science · Physics and Astronomy · #Feynman diagram #Formalism (music) #Master equation #Open quantum system #Open system (computing) #Physics #Quantum #Quantum Information and Cryptography #Quantum Mechanics and Applications #Quantum mechanics #Spectroscopy and Quantum Chemical Studies #Statistical physics #Time evolution #quant-ph
- Auger Spectroscopy via Generative Quantum Eigensolver: A Quantum Approach to Molecular Excitations
2026/03/13 by Kimberlee Keithley, Shunsuke Yamamoto, Ryota Kenmoku +16 · 2 voices
Physics and Astronomy · #quant-ph
- Connecting the concepts of quantum state tomography and molecular representations for machine learning
2026/01/01 by Raul Ortega Ochoa, Luis Mantilla Calderón, Juan Bernardo Bernardo Perez Sanchez +5 · 1 voice
Computer Science · Physics and Astronomy · #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum many-body systems