Ursula Rothlisberger

57PUBLICATIONS
220CO-AUTHORS
Biomolecular modelling and designTheoretical quantum chemistryChemical engineering designRadiation and matterMicro-manipulation
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Publications (57)

|Jun 09, 2026
Predicting unknown binding sites for transition-metal-based compounds in proteins.

|May 09, 2026
Electronic and Optical Properties of Paracyclophanes.

|May 04, 2026
Zero-shot design of a de novo metalloenzyme.

|Mar 04, 2026
Atom-centered electric multipole moments dynamically generated from QM/MM MD simulations.

Andrea Levy, Andrej Antalík, Jógvan Magnus Haugaard Olsen

|Nov 14, 2025
Machine learning-enhanced multiple time-step ab initio molecular dynamics.

François Mouvet, Nicholas J Browning, Pablo Baudin

|Oct 02, 2025
Electroactive naphthalimide and naphthalenediimide interlayers for inverted perovskite solar cells.

Konstantina-Kalliopi Armadorou, Ghewa AlSabeh, Andrea Vezzosi

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Frequent Collaborators

14 joint publications

Michael Grätzel

11 joint publications

Jógvan Magnus Haugaard Olsen

8 joint publications

Andrea Levy

7 joint publications

Shaik Mohammed Zakeeruddin