Ursula Röthlisberger

Röthlisberger speaks at the 11th European Conference on Theoretical and Computational Chemistry in 2018 Ursula Röthlisberger is a professor of computational chemistry at École Polytechnique Fédérale de Lausanne. She works on density functional theory using mixed quantum mechanical/molecular mechanical methods. She is an associate editor of the American Chemical Society Journal of Chemical Theory and Computation and a fellow of the American Association for the Advancement of Science. Provided by Wikipedia
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  1. 1
    Oxidative Defect Detection Within Free and Packed DNA Systems: A Quantum Mechanical/Molecular Mechanics (QM/ MM) Approach

    Oxidative Defect Detection Within Free and Packed DNA Systems: A Quantum Mechanical/Molecular Mechanics (QM/ MM) Approach by Sophia Johnson, Ursula Rothlisberger

    Published 2024-04-01
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  2. 2
    Atom-Centered Potentials to Describe Dispersion Forces in Density Functional Theory

    Atom-Centered Potentials to Describe Dispersion Forces in Density Functional Theory by I-Chun Lin, Ursula Röthlisberger

    Published 2008-04-01
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  3. 3
    Exploring the inhibition mechanism of adenylyl cyclase type 5 by n-terminal myristoylated Gαi1.

    Exploring the inhibition mechanism of adenylyl cyclase type 5 by n-terminal myristoylated Gαi1. by Siri Camee van Keulen, Ursula Rothlisberger

    Published 2017-09-01
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  4. 4
    Two misfolding routes for the prion protein around pH 4.5.

    Two misfolding routes for the prion protein around pH 4.5. by Julian Garrec, Ivano Tavernelli, Ursula Rothlisberger

    Published 2013-01-01
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  5. 5
    Rational Design of Organo-Ruthenium Anticancer Compounds

    Rational Design of Organo-Ruthenium Anticancer Compounds by Christian Gossens, Ivano Tavernelli, Ursula Rothlisberger

    Published 2005-03-01
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  6. 6
    Metal3D: a general deep learning framework for accurate metal ion location prediction in proteins

    Metal3D: a general deep learning framework for accurate metal ion location prediction in proteins by Simon L. Dürr, Andrea Levy, Ursula Rothlisberger

    Published 2023-05-01
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  7. 7
    Predicting novel binding modes of agonists to β adrenergic receptors using all-atom molecular dynamics simulations.

    Predicting novel binding modes of agonists to β adrenergic receptors using all-atom molecular dynamics simulations. by Stefano Vanni, Marilisa Neri, Ivano Tavernelli, Ursula Rothlisberger

    Published 2011-01-01
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  8. 8
    Quantum Mechanical/Molecular Mechanical (QM/MM) Car-Parrinello Simulations in Excited States

    Quantum Mechanical/Molecular Mechanical (QM/MM) Car-Parrinello Simulations in Excited States by Marc-Etienne Moret, Enrico Tapavicza, Leonardo Guidoni, Ute F. Röhrig, Marialore Sulpizi, Ivano Tavernelli, Ursula Rothlisberger

    Published 2005-07-01
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  9. 9
    MiMiC: Multiscale Modeling in Computational Chemistry

    MiMiC: Multiscale Modeling in Computational Chemistry by Viacheslav Bolnykh, Jógvan Magnus Haugaard Olsen, Simone Meloni, Martin P. Bircher, Emiliano Ippoliti, Paolo Carloni, Paolo Carloni, Ursula Rothlisberger

    Published 2020-03-01
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  10. 10
    Charge separation and carrier dynamics in donor-acceptor heterojunction photovoltaic systems

    Charge separation and carrier dynamics in donor-acceptor heterojunction photovoltaic systems by Joël Teuscher, Jan C. Brauer, Andrey Stepanov, Alicia Solano, Ariadni Boziki, Majed Chergui, Jean-Pierre Wolf, Ursula Rothlisberger, Natalie Banerji, Jacques-E. Moser

    Published 2017-11-01
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  11. 11
    Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions

    Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions by Maria Carola Colombo, Martin Zumstein, Joost VandeVondele, Marialore Sulpizi, Katrin Spiegel, Ute Röhrig, Stefano Piana, Patrick Maurer, Alessandra Magistrato, Alessandro Laio, Leonardo Guidoni, Ursula Röthlisberger

    Published 2002-01-01
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  12. 12
    Kinetics and energetics of metal halide perovskite conversion reactions at the nanoscale

    Kinetics and energetics of metal halide perovskite conversion reactions at the nanoscale by Neha Arora, Alessandro Greco, Simone Meloni, Alexander Hinderhofer, Alessandro Mattoni, Ursula Rothlisberger, Jan Hagenlocher, Claudia Caddeo, Shaik M. Zakeeruddin, Frank Schreiber, Michael Graetzel, Richard H. Friend, M. Ibrahim Dar

    Published 2022-04-01
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  13. 13
    Implications of short time scale dynamics on long time processes

    Implications of short time scale dynamics on long time processes by Krystel El Hage, Sebastian Brickel, Sylvain Hermelin, Geoffrey Gaulier, Cédric Schmidt, Luigi Bonacina, Siri C. van Keulen, Swarnendu Bhattacharyya, Majed Chergui, Peter Hamm, Ursula Rothlisberger, Jean-Pierre Wolf, Markus Meuwly

    Published 2017-11-01
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  14. 14
    Charge migration and charge transfer in molecular systems

    Charge migration and charge transfer in molecular systems by Hans Jakob Wörner, Christopher A. Arrell, Natalie Banerji, Andrea Cannizzo, Majed Chergui, Akshaya K. Das, Peter Hamm, Ursula Keller, Peter M. Kraus, Elisa Liberatore, Pablo Lopez-Tarifa, Matteo Lucchini, Markus Meuwly, Chris Milne, Jacques-E. Moser, Ursula Rothlisberger, Grigory Smolentsev, Joël Teuscher, Jeroen A. van Bokhoven, Oliver Wenger

    Published 2017-11-01
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  15. 15
    Author Correction: A universal co-solvent dilution strategy enables facile and cost-effective fabrication of perovskite photovoltaics

    Author Correction: A universal co-solvent dilution strategy enables facile and cost-effective fabrication of perovskite photovoltaics by Hong Zhang, Kasra Darabi, Narges Yaghoobi Nia, Anurag Krishna, Paramvir Ahlawat, Boyu Guo, Masaud Hassan S. Almalki, Tzu-Sen Su, Dan Ren, Viacheslav Bolnykh, Luigi Angelo Castriotta, Mahmoud Zendehdel, Linfeng Pan, Sandy Sanchez Alonso, Ruipeng Li, Shaik M. Zakeeruddin, Anders Hagfeldt, Ursula Rothlisberger, Aldo Di Carlo, Aram Amassian, Michael Grätzel

    Published 2022-12-01
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  16. 16
    From Chalcogen Bonding to S–π Interactions in Hybrid Perovskite Photovoltaics

    From Chalcogen Bonding to S–π Interactions in Hybrid Perovskite Photovoltaics by Weifan Luo, SunJu Kim, Nikolaos Lempesis, Lena Merten, Ekaterina Kneschaurek, Mathias Dankl, Virginia Carnevali, Lorenzo Agosta, Vladislav Slama, Zachary VanOrman, Miłosz Siczek, Wojciech Bury, Benjamin Gallant, Dominik J. Kubicki, Michal Zalibera, Laura Piveteau, Marielle Deconinck, L. Andrés Guerrero‐León, Aaron T. Frei, Patricia A. Gaina, Eva Carteau, Paul Zimmermann, Alexander Hinderhofer, Frank Schreiber, Jacques‐E. Moser, Yana Vaynzof, Sascha Feldmann, Ji‐Youn Seo, Ursula Rothlisberger, Jovana V. Milić

    Published 2024-08-01
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