Matthew R. Hermes
- Recent developments in the PySCF program package
2020/07/09 by Qiming Sun, Xing Zhang, Samragni Banerjee +53 · 206 citations
Chemical Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Machine Learning in Materials Science
- Localized Quantum Chemistry on Quantum Computers
2022/03/03 by Matthew Otten, Matthew R. Hermes, Otten, Matthew +9 · 6 citations
Computer Science · #Cloud Computing and Resource Management #FOS: Physical sciences #Parallel Computing and Optimization Techniques #Quantum Computing Algorithms and Architecture #Quantum Physics (quant-ph)
- A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits
2025/06/24 by Yuri Alexeev, Alexeev, Yuri, Victor S. Batista +57 · 11 citations
Computer Science · #Quantum Computing Algorithms and Architecture #Quantum-Dot Cellular Automata #Quantum Information and Cryptography
- The Localized Active Space Method with Unitary Selective Coupled Cluster
2024/04/19 by Abhishek Mitra, Mitra, Abhishek, Ruhee D’Cunha +13 · 4 citations
Computer Science · Mathematics · #Augmented Reality Applications #Digital Image Processing Techniques #FOS: Physical sciences #Quantum Physics (quant-ph) #advanced mathematical theories
- State preparation in quantum algorithms for fragment-based quantum chemistry
2023/05/29 by Ruhee D’Cunha, Matthew Otten, D'Cunha, Ruhee +7 · 3 citations
Computer Science · #Cloud Computing and Resource Management #FOS: Physical sciences #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum Physics (quant-ph)
- Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
2024/03/21 by Valay Agarawal, Agarawal, Valay, Daniel S. King +5 · 1 citation
Engineering · Materials Science · Physics and Astronomy · #Advanced Research in Systems and Signal Processing #Chemical Physics (physics.chem-ph) #Complex Systems and Dynamics #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Strongly Correlated Electrons (cond-mat.str-el)
- Multireference Density Matrix Embedding for Spin-Phonon Relaxation
2026/07/20 by Shreya Verma, Antonio L. Mariano, Matthew R. Hermes +3
#physics.chem-ph