Tristan Bereau

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 24

Top Venues

The Journal of chemical physics

The journal of physical chemistry. B

Scientific data

Journal of chemical theory and computation

University of Amsterdam

Carnegie Mellon University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Amsterdam

Netherlands

Assistant professor :: Van ‘t Hoff Institute for Molecular Sciences and Informatics Institute

Max-Planck-Institut für Polymerforschung

Germany

Group leader :: Theory Group

Education History

Carnegie Mellon University Jun 01 2008 - Jun 01 2011

United States

PHD :: Physics

École Polytechnique Fédérale de Lausanne

Switzerland

BSC :: Physics

Publications

Ganna Gryn'ova, Tristan Bereau, Carolin Müller, Pascal Friederich, Rebecca C Wade, Ariane Nunes-Alves, Thereza A Soares, Kenneth Merz
EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning. Journal of chemical information and modeling 64 (15) (2024)
Kübra Kaygisiz, Arghya Dutta, Lena Rauch-Wirth, Christopher V Synatschke, Jan Münch, Tristan Bereau, Tanja Weil
Inverse design of viral infectivity-enhancing peptide fibrils from continuous protein-vector embeddings. Biomaterials science (2023)
Luca M Ghiringhelli, Carsten Baldauf, Tristan Bereau, Sandor Brockhauser, Christian Carbogno, Javad Chamanara, Stefano Cozzini, Stefano Curtarolo, Claudia Draxl, Shyam S Dwaraknath, Ádám Fekete, James Kermode, Christoph T Koch, Markus Kühbach, Alvin Noe Ladines, Patrick Lambrix, Maja-Olivia Himmer, Sergey V Levchenko, Micael Oliveira, Adam Michalchuk, Ronald E Miller, Berk Onat, Pasquale Pavone, Giovanni Pizzi, Benjamin Regler, Gian Marco Rignanese, Jörg J Schaarschmidt, Markus Scheidgen, Astrid Schneidewind, Tatyana Sheveleva, Chuanxun Su, Denis Usvyat, Omar Valsson, Christof Wöll, Matthias Scheffler
Shared metadata for data-centric materials science. Scientific data 10 (1) (2023)
Bernadette Mohr, Diego van der Mast, Tristan Bereau
Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular Dynamics. Journal of chemical theory and computation (2023)
Isabel Kleinwächter, Bernadette Mohr, Aljoscha Joppe, Nadja Hellmann, Tristan Bereau, Heinz D Osiewacz, Dirk Schneider
CLiB - a novel cardiolipin-binder isolated via data-driven and in vitro screening. RSC chemical biology 3 (7) (2022)
Kiran H Kanekal, Joseph F Rudzinski, Tristan Bereau
Broad chemical transferability in structure-based coarse-graining. The Journal of chemical physics 157 (10) (2022)
Bernadette Mohr, Kirill Shmilovich, Isabel S Kleinwächter, Dirk Schneider, Andrew L Ferguson, Tristan Bereau
Data-driven discovery of cardiolipin-selective small molecules by computational active learning. Chemical science 13 (16) (2022)
Joseph F Rudzinski, Sebastian Kloth, Svenja Wörner, Tamisra Pal, Kurt Kremer, Tristan Bereau, Michael Vogel
Dynamical properties across different coarse-grained models for ionic liquids. Journal of physics. Condensed matter : an Institute of Physics journal 33 (22) (2021)
Marius Bause, Tristan Bereau
Reweighting non-equilibrium steady-state dynamics along collective variables. The Journal of chemical physics 154 (13) (2021)
Isabel S Kleinwächter, Stefanie Pannwitt, Alessia Centi, Nadja Hellmann, Eckhard Thines, Tristan Bereau, Dirk Schneider
The Bacteriostatic Activity of 2-Phenylethanol Derivatives Correlates with Membrane Binding Affinity. Membranes 11 (4) (2021)
Padmabati Mondal, Pierre-Andre Cazade, Akshaya K Das, Tristan Bereau, Markus Meuwly
Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer. The journal of physical chemistry. B 125 (39) (2021)
Arghya Dutta, Jilles Vreeken, Luca M Ghiringhelli, Tristan Bereau
Data-driven equation for drug-membrane permeability across drugs and membranes. The Journal of chemical physics 154 (24) (2021)
Svenja J Wörner, Tristan Bereau, Kurt Kremer, Joseph F Rudzinski
Direct route to reproducing pair distribution functions with coarse-grained models via transformed atomistic cross correlations. The Journal of chemical physics 151 (24) (2020)
J Wesley Barnett, Connor R Bilchak, Yiwen Wang, Brian C Benicewicz, Laura A Murdock, Tristan Bereau, Sanat K Kumar
Designing exceptional gas-separation polymer membranes using machine learning. Science advances 6 (20) (2020)
Christoph Scherer, René Scheid, Denis Andrienko, Tristan Bereau
Kernel-Based Machine Learning for Efficient Simulations of Molecular Liquids. Journal of chemical theory and computation 16 (5) (2020)
Christian Hoffmann, Alessia Centi, Roberto Menichetti, Tristan Bereau
Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations. Scientific data 7 (1) (2020)
Amelie H R Koch, Svenja Morsbach, Tristan Bereau, Gaëtan Leveque, Hans-Juergen Butt, Markus Deserno, Katharina Landfester, George Fytas
Probing Nanoparticle/Membrane Interactions by Combining Amphiphilic Diblock Copolymer Assembly and Plasmonics. The journal of physical chemistry. B 124 (5) (2020)
Joseph F Rudzinski, Marc Radu, Tristan Bereau
Automated detection of many-particle solvation states for accurate characterizations of diffusion kinetics. The Journal of chemical physics 150 (2) (2019)
Kiran H Kanekal, Tristan Bereau
Resolution limit of data-driven coarse-grained models spanning chemical space. The Journal of chemical physics 151 (16) (2019)
Svenja Morsbach, Grazia Gonella, Volker Mailänder, Seraphine Valeska Wegner, Si Wu, Tobias Weidner, Rüdiger Berger, Kaloian Koynov, Doris Vollmer, Noemí Encinas, Seah Ling Kuan, Tristan Bereau, Kurt Kremer, Tanja Weil, Mischa Bonn, Hans-Juergen Butt, Katharina Landfester
Engineering Proteins at Interfaces: From Complementary Characterization to Material Surfaces with Designed Functions. Angewandte Chemie (International ed. in English) 57 (39) (2018)
Tristan Bereau, Robert A DiStasio, Alexandre Tkatchenko, O Anatole von Lilienfeld
Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning. The Journal of chemical physics 148 (24) (2018)
Joseph F Rudzinski, Tristan Bereau
Structural-kinetic-thermodynamic relationships identified from physics-based molecular simulation models. The Journal of chemical physics 148 (20) (2018)
Roberto Menichetti, Kiran H Kanekal, Kurt Kremer, Tristan Bereau
In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force. The Journal of chemical physics 147 (12) (2018)
Johannes Franz, Tristan Bereau, Stefanie Pannwitt, Anbazhagan Veerappan, Alexander Lehr, Udo Nubbemeyer, Ulrich Dietz, Mischa Bonn, Tobias Weidner, Dirk Schneider
Nitrated Fatty Acids Modulate the Physical Properties of Model Membranes and the Structure of Transmembrane Proteins. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (40) (2017)

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Publication Activity (10 Years)

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Tristan Bereau