Reiher, Markus

Elucidating reaction mechanisms on quantum computers

Reiher, M., Wiebe, N., Svore, K. M., Wecker, D., & Troyer, M. (2017) · Proceedings of the National Academy of Sciences

Quantum Computing Algorithms and ArchitectureAdvanced Chemical Physics Studies

Cited by 745

The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges

Baiardi, A., & Reiher, M. (2020) · The Journal of Chemical Physics

Advanced Chemical Physics StudiesQuantum many-body systems

Cited by 306

Quantum computing enhanced computational catalysis

von Burg, V., Low, G. H., Häner, T., Steiger, D. S., Reiher, M., Roetteler, M., & Troyer, M. (2020) · arXiv

Quantum Computing Algorithms and ArchitectureAdvanced Chemical Physics Studies

Cited by 258

Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group

Freitag, L., Knecht, S., Angeli, C., & Reiher, M. (2017) · Journal of Chemical Theory and Computation

Advanced Chemical Physics StudiesQuantum many-body systems

Cited by 119

Quantum Computing for Molecular Biology**

Baiardi, A., Christandl, M., & Reiher, M. (2023) · ChemBioChem

Quantum Computing Algorithms and ArchitectureAdvanced Chemical Physics Studies

Cited by 93

Complete-graph tensor network states: a new fermionic wave function ansatz for molecules

Marti, K. H., Bauer, B., Reiher, M., Troyer, M., & Verstraete, F. (2010) · New Journal of Physics

Quantum many-body systemsQuantum Computing Algorithms and Architecture

Cited by 87

Prospects of quantum computing for molecular sciences

Liu, H., Low, G. H., Steiger, D. S., Häner, T., Reiher, M., & Troyer, M. (2022) · Materials Theory

Quantum Computing Algorithms and ArchitectureAdvanced Chemical Physics Studies

Cited by 73

Molecule‐Specific Uncertainty Quantification in Quantum Chemical Studies

Reiher, M. (2022) · Israel Journal of Chemistry

Advanced Chemical Physics StudiesAdvanced Physical and Chemical Molecular Interactions

Cited by 29

Roadmap on methods and software for electronic structure based simulations in chemistry and materials

Blum, V., Asahi, R., Autschbach, J., Bannwarth, C., Bihlmayer, G., Blügel, S., Burns, L. A., Crawford, T. D., Dawson, W., de Jong, W. A., et al. (2024) · Electronic Structure

Advanced Chemical Physics StudiesMachine Learning in Materials Science

Cited by 24

Self-adaptive tensor network states with multi-site correlators

Kovyrshin, A., & Reiher, M. (2017) · The Journal of Chemical Physics

Quantum many-body systemsAdvanced Chemical Physics Studies

Cited by 14