SEEK ID: https://publications.h-its.org/people/144
Location:
Germany
ORCID: Not specified
Joined: 7th Sep 2019
Expertise: Not specified
Tools: Not specified



Project roles
Asset gatekeeper
- Astroinformatics
- Computational Carbon Chemistry
- Data Mining and Uncertainty Quantification
- Natural Language Processing
- Physics of Stellar Objects
Project administrator

Scientific Databases and Visualisation (Heidelberg Institute for Theoretical Studies) ; Astroinformatics (Heidelberg Institute for Theoretical Studies) ; Data Mining and Uncertainty Quantification (Heidelberg Institute for Theoretical Studies) ; Groups and Geometry (Heidelberg Institute for Theoretical Studies) ; Natural Language Processing (Heidelberg Institute for Theoretical Studies) ; Computational Molecular Evolution (Heidelberg Institute for Theoretical Studies) ; Computational Carbon Chemistry (Heidelberg Institute for Theoretical Studies) ; Physics of Stellar Objects (Heidelberg Institute for Theoretical Studies) ; Playground (Heidelberg Institute for Theoretical Studies) ; Molecular and Cellular Modeling (Heidelberg Institute for Theoretical Studies) ; Stellar Evolution Theory (Heidelberg Institute for Theoretical Studies) ; SIMPLAIX (Heidelberg Institute for Theoretical Studies)
Related items
Public web page: http://www.simplaix.org
Organisms: Not specified
The Computational Carbon Chemistry (CCC) group uses state-of-the-art computational chemistry to explore and exploit diverse functional organic materials. Among these, graphene-based materials are of particular interest due to a number of advantages they offer over conventional inorganic counterparts: natural biocompatibility, infinite structural variability, mechanical flexibility, unique electronic and optical properties, relative ease of fabrication and functionalisation, and inherent molecular ...
Public web page: https://www.h-its.org/research/ccc/
Start date: 1st Apr 2019
End date: 31st Mar 2024
Organisms: Not specified
Abstract (Expand)
Authors: Rostislav Fedorov, Ganna Gryn’ova
Date Published: 8th Aug 2023
Publication Type: Journal
Citation: J. Chem. Theory Comput. 19(15):4796-4814
Abstract (Expand)
Authors: Roman Remme, Tobias Kaczun, Maximilian Scheurer, Andreas Dreuw, Fred A. Hamprecht
Date Published: 2023
Publication Type: Journal
DOI: 10.48550/arXiv.2305.13316
Citation: arXiv,physics.chem-ph,2305.13316
Abstract (Expand)
Authors: Patrick Reiser, Marlen Neubert, André Eberhard, Luca Torresi, Chen Zhou, Chen Shao, Houssam Metni, Clint van Hoesel, Henrik Schopmans, Timo Sommer, Pascal Friederich
Date Published: 1st Dec 2022
Publication Type: Journal
DOI: 10.1038/s43246-022-00315-6
Citation: Commun Mater 3(1),93
Abstract (Expand)
Authors: Peter Lippmann, Enrique Fita Sanmartín, Fred A. Hamprecht
Date Published: 2022
Publication Type: Journal
DOI: 10.48550/arXiv.2210.07702
Citation: arXiv,cs.LG,2210.07702
Abstract (Expand)
Authors: Marek Ostaszewski, Anna Niarakis, Alexander Mazein, Inna Kuperstein, Robert Phair, Aurelio Orta‐Resendiz, Vidisha Singh, Sara Sadat Aghamiri, Marcio Luis Acencio, Enrico Glaab, Andreas Ruepp, Gisela Fobo, Corinna Montrone, Barbara Brauner, Goar Frishman, Luis Cristóbal Monraz Gómez, Julia Somers, Matti Hoch, Shailendra Kumar Gupta, Julia Scheel, Hanna Borlinghaus, Tobias Czauderna, Falk Schreiber, Arnau Montagud, Miguel Ponce de Leon, Akira Funahashi, Yusuke Hiki, Noriko Hiroi, Takahiro G Yamada, Andreas Dräger, Alina Renz, Muhammad Naveez, Zsolt Bocskei, Francesco Messina, Daniela Börnigen, Liam Fergusson, Marta Conti, Marius Rameil, Vanessa Nakonecnij, Jakob Vanhoefer, Leonard Schmiester, Muying Wang, Emily E Ackerman, Jason E Shoemaker, Jeremy Zucker, Kristie Oxford, Jeremy Teuton, Ebru Kocakaya, Gökçe Yağmur Summak, Kristina Hanspers, Martina Kutmon, Susan Coort, Lars Eijssen, Friederike Ehrhart, Devasahayam Arokia Balaya Rex, Denise Slenter, Marvin Martens, Nhung Pham, Robin Haw, Bijay Jassal, Lisa Matthews, Marija Orlic‐Milacic, Andrea Senff Ribeiro, Karen Rothfels, Veronica Shamovsky, Ralf Stephan, Cristoffer Sevilla, Thawfeek Varusai, Jean‐Marie Ravel, Rupsha Fraser, Vera Ortseifen, Silvia Marchesi, Piotr Gawron, Ewa Smula, Laurent Heirendt, Venkata Satagopam, Guanming Wu, Anders Riutta, Martin Golebiewski, Stuart Owen, Carole Goble, Xiaoming Hu, Rupert W Overall, Dieter Maier, Angela Bauch, Benjamin M Gyori, John A Bachman, Carlos Vega, Valentin Grouès, Miguel Vazquez, Pablo Porras, Luana Licata, Marta Iannuccelli, Francesca Sacco, Anastasia Nesterova, Anton Yuryev, Anita de Waard, Denes Turei, Augustin Luna, Ozgun Babur, Sylvain Soliman, Alberto Valdeolivas, Marina Esteban‐Medina, Maria Peña‐Chilet, Kinza Rian, Tomáš Helikar, Bhanwar Lal Puniya, Dezso Modos, Agatha Treveil, Marton Olbei, Bertrand De Meulder, Stephane Ballereau, Aurélien Dugourd, Aurélien Naldi, Vincent Noël, Laurence Calzone, Chris Sander, Emek Demir, Tamas Korcsmaros, Tom C Freeman, Franck Augé, Jacques S Beckmann, Jan Hasenauer, Olaf Wolkenhauer, Egon L Wilighagen, Alexander R Pico, Chris T Evelo, Marc E Gillespie, Lincoln D Stein, Henning Hermjakob, Peter D'Eustachio, Julio Saez‐Rodriguez, Joaquin Dopazo, Alfonso Valencia, Hiroaki Kitano, Emmanuel Barillot, Charles Auffray, Rudi Balling, Reinhard Schneider
Date Published: 1st Oct 2021
Publication Type: Journal
Citation: Molecular Systems Biology 17(10),e10387
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