Markus Reiher

ETH Zurich CH

0000-0002-9508-1565

666

Publications

30,142

Citations

H-Index

317

i10-Index

2.75

2yr Mean Cite

Cite/Paper

Data combined from OpenAlex + Semantic Scholar. OA = OpenAlex S2 = Semantic Scholar

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Publication & Citation Trends

Most Cited Works

MOLCAS 7: The Next Generation

Francesco Aquilante, Luca De Vico, Nicolas Ferré, Giovanni Ghigo, Per‐Åke Malmqvist +9 more

Journal of Computational Chemistry 2009

1,541

<scp>Molcas</scp> 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table OA

Francesco Aquilante, Jochen Autschbach, Rebecca K. Carlson, Liviu F. Chibotaru, Mickaël G. Delcey +33 more

Journal of Computational Chemistry 2015

1,441

Reparameterization of hybrid functionals based on energy differences of states of different multiplicity

Markus Reiher, Oliver Salomon, Bernd A. Heß

Theoretical Chemistry Accounts 2001

1,347

OpenMolcas: From Source Code to Insight OA

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante +58 more

Journal of Chemical Theory and Computation 2019

1,107

Elucidating reaction mechanisms on quantum computers OA

Markus Reiher, Nathan Wiebe, Krysta M. Svore, Dave Wecker, Matthias Troyer

Proceedings of the National Academy of Sciences 2017

760

Publications

665 total

Mechanistic Insights Into Post-translational α-Keto-β-Amino Acid Formation by a Radical S-Adenosyl Methionine Peptide Splicease. OA

A. Vagstad, E. Lakis, Katja-Sophia Csizi, W. Walls, Daniel Richter - Angewandte Chemie, 2024

Cited by 4 Semantic Scholar

The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry PDF

Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante et al. - Journal of Chemical Theory and Computation, 2023

Cited by 312 OpenAlex

Modern quantum chemistry with [Open]Molcas PDF

Francesco Aquilante, Jochen Autschbach, Alberto Baiardi, Stefano Battaglia, Veniamin A. Borin et al. - The Journal of Chemical Physics, 2020

Cited by 488 OpenAlex

OpenMolcas: From Source Code to Insight PDF

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante et al. - Journal of Chemical Theory and Computation, 2019

Cited by 1,107 OpenAlex

Elucidating reaction mechanisms on quantum computers PDF

Markus Reiher, Nathan Wiebe, Krysta M. Svore, Dave Wecker, Matthias Troyer - Proceedings of the National Academy of Sciences, 2017

Cited by 760 OpenAlex

Automated Selection of Active Orbital Spaces PDF

Christopher J. Stein, Markus Reiher - Journal of Chemical Theory and Computation, 2016

Cited by 339 OpenAlex

<scp>Molcas</scp> 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table PDF

Francesco Aquilante, Jochen Autschbach, Rebecca K. Carlson, Liviu F. Chibotaru, Mickaël G. Delcey et al. - Journal of Computational Chemistry, 2015

Cited by 1,441 OpenAlex

Exact decoupling of the relativistic Fock operator PDF

Daoling Peng, Markus Reiher - Theoretical Chemistry Accounts, 2012

Cited by 327 OpenAlex

MOLCAS 7: The Next Generation

Francesco Aquilante, Luca De Vico, Nicolas Ferré, Giovanni Ghigo, Per‐Åke Malmqvist et al. - Journal of Computational Chemistry, 2009

Cited by 1,541 OpenAlex

Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas–Kroll–Hess transformation up to arbitrary order

Markus Reiher, Alexander Wolf - The Journal of Chemical Physics, 2004

Cited by 603 OpenAlex

Research Topics

Advanced Chemical Physics Studies (171) Spectroscopy and Quantum Chemical Studies (109) X-ray Diffraction in Crystallography (103) Crystallization and Solubility Studies (101) Machine Learning in Materials Science (97)

Frequent Co-Authors

Francesco Aquilante

5 joint publications

Valera Veryazov

5 joint publications

Luca De Vico

4 joint publications

Nicolas Ferré

4 joint publications

Per‐Åke Malmqvist

4 joint publications

Roland Lindh

4 joint publications

Affiliations

Karlsruhe Institute of Technology

DE 2011 - 2010

Universitat Jaume I

ES 2014 - 2014

École Normale Supérieure de Lyon

FR 2008 - 2008

University of Geneva

CH 2013 - 2013

Uppsala University

SE 2010 - 2010

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Markus Reiher

Publication & Citation Trends

Most Cited Works

Publications

Mechanistic Insights Into Post-translational α-Keto-β-Amino Acid Formation by a Radical S-Adenosyl Methionine Peptide Splicease. OA

Research Topics

Frequent Co-Authors

Affiliations

External Profiles

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