Jiřı́ Pittner
- Quantum chemistry beyond Born-Oppenheimer approximation on a quantum computer: a simulated phase estimation study
2015/07/12 by Libor Veis, Veis, Libor, Jakub Višňák +8 · 7 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #FOS: Physical sciences #Quantum Physics (quant-ph) #Quantum, superfluid, helium dynamics #Scientific Research and Discoveries #Spectroscopy and Quantum Chemical Studies #quant-ph
- Quantum computing approach to non-relativistic and relativistic molecular energy calculations
2012/03/28 by Libor Veis, Jiřı́ Pittner, Jiří Pittner +2 · 2 citations
Computer Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Quantum Computing Algorithms and Architecture #Spectroscopy and Quantum Chemical Studies #quant-ph
- A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors
2025/05/29 by Jakub Martinka, Martinka, Jakub, Lina Zhang +11 · 2 voices · 4 citations
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #Spectroscopy and Quantum Chemical Studies
- A simple approach to rotationally invariant machine learning of a vector quantity
2024/11/01 by Jakub Martinka, Marek Pederzoli, Mario Barbatti +2 · 1 voice · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics
- A simple approach to rotationally invariant machine learning of avector quantity
2024/07/18 by Jakub Martinka, Marek Pederzoli, Martinka, Jakub +7 · 2 citations
Computer Science · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Neural Networks and Applications