Publications per year
Publications per year
Personal profile
Education/Academic qualification
Theoretical Chemistry, PhD
Jan 1996 → Apr 1998
Chemistry, Diploma, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
1990 → 1995
Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
-
Drug design on quantum computers
Santagati, R., Aspuru-Guzik, A., Babbush, R., Degroote, M., González, L., Kyoseva, E., Moll, N., Oppel, M., Parrish, R. M., Rubin, N. C., Streif, M., Tautermann, C. S., Weiss, H., Wiebe, N. & Utschig-Utschig, C., Apr 2024, In: Nature Physics. 20, 4, p. 549-557 9 p.Publications: Contribution to journal › Article › Peer Reviewed
-
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Max-Plank-Institut für Festkörperforschung & Lindh, R., 24 Oct 2023, In: Journal of Chemical Theory and Computation. 19, 20, p. 6933-6991 59 p.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Cover Feature: Oxygen‐Doped PAH Electrochromes: Difurano, Dipyrano, and Furano‐Pyrano Containing Naphthalene‐Cored Molecules (Eur. J. Org. Chem. 2/2022)
Fletcher‐Charles, J., Ferreira, R. R., Klemm-Abraham, M., Romito, D., Oppel, M., González, L. & Bonifazi, D., 14 Jan 2022, Wiley VCH.Publications: Other publication › Other
-
A DMRG-SCF based study of a CO and NO releasing compound with potential pharmaceutical application
Markus Oppel (Contributor), L. Lindenbauer (Contributor), Leon Freitag (Contributor) & Leticia Gonzalez Herrero (Contributor)
16 Jul 2023Activity: Talks and presentations › Poster presentation › Science to Science
-
Quantum Chemistry on SX-Aurora
Markus Oppel (Speaker)
24 Sep 2020Activity: Talks and presentations › Talk or oral contribution › Science to Science
-
Porting OpenMolcas onto NEC's SX-Aurora Vector Engine
Markus Oppel (Speaker)
16 Jun 2020Activity: Talks and presentations › Talk or oral contribution › Science to Science