Mario Motta
- Recent developments in the PySCF program package
2020/02/29 by Qiming Sun, Xing Zhang, Samragni Banerjee +56 · 234 citations
Chemical Engineering · Chemistry · Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Chemistry #Computational science #Computer science #Database #Engineering #Machine Learning in Materials Science #Molecule #Programming language #Python (programming language) #Quantum chemistry #Software engineering #Supramolecular chemistry #Systems engineering #Workflow #physics.chem-ph #physics.comp-ph
- Quantum-Centric Algorithm for Sample-Based Krylov Diagonalization
2025/01/16 by Jeffery Yu, Javier Robledo Moreno, Yu, Jeffery +40 · 1 voice · 38 citations
Computer Science · Biochemistry, Genetics and Molecular Biology · #Quantum Computing Algorithms and Architecture #Neural Networks and Applications #Fractal and DNA sequence analysis
- Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
2019/01/31 by Mario Motta, Chong Sun, Adrian Teck Keng Tan +5 · 6 citations
Physics and Astronomy · #quant-ph
- Emerging quantum computing algorithms for quantum chemistry
2021/09/30 by Mário Motta, Mario Motta, Julia E. Rice +1 · 1 citation
Computer Science · Mathematics · Physics and Astronomy · #Algorithm #Artificial intelligence #Computation #Computational science #Computer science #Eigenvalues and eigenvectors #Electronic structure #Hamiltonian (control theory) #Mathematical optimization #Mathematics #Molecule #Physics #Quantum #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum algorithm #Quantum chemistry #Quantum computer #Quantum mechanics #Spectroscopy and Quantum Chemical Studies #Theoretical computer science #Variety (cybernetics) #quant-ph
- Quantum Computations on Fusion Blanket Molten Salts
2026/06/29 by Susanta Das, Thiago J. Pinheiro Dos Santos, Subhamoy Bhowmik +14 · 1 voice
Physics and Astronomy · #quant-ph #physics.chem-ph