Markus Reiher

MOLCAS 7: The Next Generation

Francesco Aquilante, Luca De Vico, Nicolas Ferré et al. · Journal of Computational Chemistry · 2009 · 1.5K citations

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

Francesco Aquilante, Jochen Autschbach, Rebecca K. Carlson et al. · Journal of Computational Chemistry · 2015 · 1.4K citations · Full text

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

Markus Reiher, Oliver Salomon · Theoretical Chemistry Accounts · 2001 · 1.3K citations

Spectral Theory, Engineering, Physics +9

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2019 · 1.1K citations · Full text

Software Maintenance, Engineering, Software Engineering +23

Elucidating reaction mechanisms on quantum computers

Markus Reiher, Nathan Wiebe, Krysta M. Svore et al. · Proceedings of the National Academy of Sciences · 2017 · 745 citations · Full text