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Markus Reiher

ETH Zurich

82H-index
663Paper Count
2.9WCitation Count
Published Papers 235
Publication Date
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Neural Quantum States Based on Selected Configurations
errThe Journal of Physical Chemistry Letters
IF0
err2026-04-23
err0
errOAAI
errMarco Julian Solanki; Lexin Ding; Markus Reiher
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errSave
How to Use Quantum Computers for Biomolecular Free Energies
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-19
err0
errOAAI
errJakob Günther; Thomas Weymuth; Moritz Bensberg; Freek Witteveen; Matthew S. Teynor; F. Emil Thomasen; Valentina Sora; William Bro-Jørgensen; Raphael T. Husistein; Mihael Erakovic; Marek Miller; Leah Weisburn; Minsik Cho; Marco Eckhoff; Aram W. Harrow; Anders Krogh; Troy Van Voorhis; Kresten Lindorff-Larsen; Gemma Solomon; Markus Reiher; Matthias Christandl
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errSave
Modal Backflow Neural Quantum States for Anharmonic Vibrational Calculations
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-09
err0
errOAAI
errLexin Ding; Markus Reiher
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errSave
Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence
errJournal of the American Chemical Society
IF15.6
err2026-02-20
err0
PREAI
errKonstantinos D. Vogiatzis; Clémence Corminboeuf; Ainara Nova; Kjell Jorner; Johannes Kästner; Markus Meuwly; Philippe Schwaller; Victor Böttcher; Maria Drosou; Edvin Fako; Hannes Hoppe; Zarko Ivkovic; Nestor Iwanojko; Dimitrios A. Pantazis; Stefan P. Schmid; Kalman Szenes; Auguste Tetenoire; Markus Reiher
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errSave
n-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State Dynamics
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-12
err0
errOAAI
errValentin Barandun; Nina Glaser; Markus Reiher
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errSave
Automated Exploration of Radical-molecule Chemistry: The Case of Oxirane + CH in the Interstellar Medium
errThe Astrophysical Journal
IF0
err2026-02-04
err0
errOAAI
errMoritz Bensberg; Silvia Alessandrini; Mattia Melosso; Cristina Puzzarini; Markus Reiher
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Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster Theory
errThe Journal of Physical Chemistry A
IF2.8
err2026-02-03
err0
errOAAI
errKalman Szenes; Riya Kayal; Kantharuban Sivalingam; Robin Feldmann; Frank Neese; Markus Reiher
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errSave
Disentangling First and Second Sphere Effects in Iron–Sulfur Cubanes
errJACS Au
IF8.7
err2025-12-18
err0
errOAAI
errLiam Grunwald; Katja-Sophia Csizi; Daniel Klose; Vladimir Pelmenschikov; Martin Clémancey; Hongxin Wang; Micha L. Weber; Henrik Seng; Yoshitaka Yoda; Daniel F. Abbott; Patrick Dubourdeaux; Stephen P. Cramer; Markus Reiher; Geneviève Blondin; Victor Mougel
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Automated Reaction Exploration of Ozonation Processes for Model Olefins in Water
errENVIRONMENTAL SCIENCE & TECHNOLOGY
IF11.3
err2025-12-01
err0
PREAI
errPetrus, Enric; Hunkeler, Livia A.; Reiher, Markus; Von Gunten, Urs; Hofstetter, Thomas B.
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errSave
Lifelong Machine Learning Potentials for Chemical Reaction Network Explorations
errJournal of Chemical Theory and Computation
IF5.5
err2025-09-22
err0
PREAI
errMarco Eckhoff; Markus Reiher
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errSave
QCMaquis 4.0: Multipurpose Electronic; Vibrational; and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group
errThe Journal of Physical Chemistry A
IF0
err2025-08-01
err0
errOAAI
errKalman Szenes; Nina Glaser; Mihael Erakovic; Valentin Barandun; Maximilian Mörchen; Robin Feldmann; Stefano Battaglia; Alberto Baiardi; Markus Reiher
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errSave
Hierarchical Quantum Embedding by Machine Learning for Large Molecular Assemblies
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-29
err0
errOAAI
errMoritz Bensberg; Marco Eckhoff; Raphael T. Husistein; Matthew S. Teynor; Valentina Sora; William Bro-Jørgensen; F. Emil Thomasen; Anders Krogh; Kresten Lindorff-Larsen; Gemma C. Solomon; Thomas Weymuth; Markus Reiher
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errSave
Automated Microsolvation for Minimum Energy Path Construction in Solution
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-05-28
err0
errOAAI
errTurtscher, Paul L.; Reiher, Markus
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errSave
Multiscale Embedding for Quantum Computing
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-04-15
err0
PREAI
errWeisburn, Leah P.; Cho, Minsik; Bensberg, Moritz; Meitei, Oinam Romesh; Reiher, Markus; Van Voorhis, Troy
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errSave
Non-iterative Triples for Transcorrelated Coupled Cluster Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-17
err0
errOAAI
errMorchen, Maximilian; Baiardi, Alberto; Lesiuk, Michal; Reiher, Markus
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errSave
Mechanistic Insights Into Post-Translational α-Keto-β-Amino Acid Formation by a Radical S-Adenosyl Methionine Peptide Splicease
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2025-01-10
err1
errOAAI
errVagstad, Anna L.; Lakis, Edgars; Csizi, Katja-Sophia; Walls, William; Richter, Daniel; Lee, Kang Soo; Stocker, Roman; Gugger, Muriel; Broderick, William E.; Broderick, Joan B.; Reiher, Markus; Piel, Jorn
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More quantum chemistry with fewer qubits
errPHYSICAL REVIEW RESEARCH
IF4.2
err2024-10-07
err2
errOAAI
errGunther, Jakob; Baiardi, Alberto; Reiher, Markus; Christandl, Matthias
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Renormalized Internally Contracted Multireference Coupled Cluster with Perturbative Triples
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-08-19
err0
errOAAI
errFeldmann, Robin; Reiher, Markus
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Nanoscale chemical reaction exploration with a quantum magnifying glass
errNATURE COMMUNICATIONS
IF15.7
err2024-06-22
err4
errOAAI
errCsizi, Katja-Sophia; Steiner, Miguel; Reiher, Markus
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SCINE-Software for chemical interaction networks
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-10
err3
errOAAI
errWeymuth, Thomas; Unsleber, Jan P.; Tuertscher, Paul L.; Steiner, Miguel; Sobez, Jan-Grimo; Mueller, Charlotte H.; Moerchen, Maximilian; Klasovita, Veronika; Grimmel, Stephanie A.; Eckhoff, Marco; Csizi, Katja-Sophia; Bosia, Francesco; Bensberg, Moritz; Reiher, Markus
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Research Directions

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Co-authors
Cooperation Journals
M
M. Weber
H-index: 193 · Papers: 3.9K
D
Donald G. Truhlar
H-index: 187 · Papers: 1.9K
R
Robert H. Crabtree
H-index: 165 · Papers: 1.2K
M
Michele Parrinello
H-index: 155 · Papers: 924
F
Frank Neese
H-index: 141 · Papers: 977
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