Vorträge

Implicit Solvation, Grand-Canonical Cluster Models and Structural Diversity in Energy Materials
Theory Seminar, Tecnical University Munich, Germany, 17.05.2021 (online)
Accuracy, Pragmatism, and Interpretability in Quantum-Chemical Calculations
GRK 2376 "Confinement-Controlled Chemistry" Seminar, Technical University Dortmund, Germany, 05.05.2021 (online)

Implicit electrolyte solvation models for quantum-chemical simulation
RESOLV Cluster of Excellence Autumn Workshop, Bochum University, Germany. (online)
A novel route toward ab initio battery modelling
Selection seminar for the NRW return fellowship, Düsseldorf, Germany. (online)

Orbital entanglement analysis of exchange-coupled transition metal complexes
ACS National Meeting, San Diego, CA.
Automated multi-configurational calculations and their analysis
ACS National Meeting, San Diego, CA.
Understanding exchange coupling in transition metal complexes with orbital entanglement
Quantum Bioinorganic Conference QBIC-V, Marseille, France.
Modern quantum-chemical concepts and methods for complex systems
Theory seminar – John Herbert group, Ohio State University, OH.
Modern quantum-chemical methods for complex chemistry
Group seminar – Alán Aspuru-Guzik Matter Lab, University of Toronto, Canada.

Automated multi-configurational calculations
ICQC satellite meeting on strong correlation, Strassbourg, France.

Automated multi-configurational calculations
Symposium für Theoretische Chemie, Basel, Switzerland.
Automated selection of active orbital spaces
Theory seminar – Heather Kulik Group, Massachusetts Institute of Technology, Boston, MA.
Vibrational density matrix renormalization group
International workshop on molecular quantum dynamics and kinetics, Zurich, Switzerland.
Automated selection of active orbital spaces
Molcas Developer Meeting, Jerusalem, Israel.

Quantitative reaction energies from an automated multi-configurational approach
SCS Fall Meeting, Zurich, Switzerland.

Arbeitsgruppe Stein