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2020 – today
- 2024
[j8]Kevin Maik Jablonka, Philippe Schwaller
, Andres Ortega-Guerrero, Berend Smit:
Leveraging large language models for predictive chemistry. Nat. Mac. Intell. 6(2): 161-169 (2024)- 2023
- [j7]Yeonghun Kang, Hyunsoo Park, Berend Smit, Jihan Kim:
A multi-modal pre-training transformer for universal transfer learning in metal-organic frameworks. Nat. Mac. Intell. 5(3): 309-318 (2023) - [i4]Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, Shruti Badhwar, Joshua D. Bocarsly, Andres M. Bran, Stefan Bringuier, L. Catherine Brinson, Kamal Choudhary, Defne Circi, Sam Cox, Wibe A. de Jong, Matthew L. Evans, Nicolas Gastellu, Jerome Genzling, María Victoria Gil, Ankur K. Gupta, Zhi Hong, Alishba Imran, Sabine Kruschwitz, Anne Labarre, Jakub Lála, Tao Liu, Steven Ma, Sauradeep Majumdar, Garrett W. Merz, Nicolas Moitessier, Elias Moubarak, Beatriz Mouriño, Brenden Pelkie, Michael Pieler, Mayk Caldas Ramos, Bojana Rankovic, Samuel G. Rodriques, Jacob N. Sanders, Philippe Schwaller, Marcus Schwarting, Jiale Shi, Berend Smit, Ben E. Smith, Joren Van Heck, Christoph Völker, Logan T. Ward, Sean Warren, Benjamin Weiser, Sylvester Zhang, Xiaoqi Zhang, Ghezal Ahmad Zia, Aristana Scourtas, K. J. Schmidt, Ian T. Foster, Andrew D. White, Ben Blaiszik:
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon. CoRR abs/2306.06283 (2023) - 2022
- [j6]Sterling G. Baird, Kevin Maik Jablonka, Michael D. Alverson, Hasan M. Sayeed, Mohammed Faris Khan, Colton Seegmiller, Berend Smit, Taylor D. Sparks:
xtal2png: A Python package for representing crystal structure as PNG files. J. Open Source Softw. 7(77): 4528 (2022) - [j5]Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew D. White, Adamo Young, Rose Yu, Alán Aspuru-Guzik:
SELFIES and the future of molecular string representations. Patterns 3(10): 100588 (2022) - [i3]Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew D. White, Adamo Young, Rose Yu, Alán Aspuru-Guzik:
SELFIES and the future of molecular string representations. CoRR abs/2204.00056 (2022) - 2021
- [i2]Kevin Maik Jablonka, Fergus Mcilwaine, Susana Garcia, Berend Smit, Brian Yoo:
A reproducibility study of "Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space". CoRR abs/2102.00700 (2021) - 2020
- [i1]Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit:
Big-Data Science in Porous Materials: Materials Genomics and Machine Learning. CoRR abs/2001.06728 (2020)
2010 – 2019
- 2018
- [j4]Sanghoon Park, Baekjun Kim, Sihoon Choi, Peter G. Boyd, Berend Smit, Jihan Kim:
Text Mining Metal-Organic Framework Papers. J. Chem. Inf. Model. 58(2): 244-251 (2018) - 2016
- [j3]Cory M. Simon, Berend Smit, Maciej Haranczyk:
pyIAST: Ideal adsorbed solution theory (IAST) Python package. Comput. Phys. Commun. 200: 364-380 (2016) - 2014
- [c1]Berend Smit:
Computational carbon capture. e-Energy 2014: 1 - 2012
- [j2]Richard L. Martin, Berend Smit, Maciej Haranczyk:
Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials. J. Chem. Inf. Model. 52(2): 308-318 (2012) - 2010
- [j1]Kevin Theisen, Berend Smit, Maciej Haranczyk:
Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials. J. Chem. Inf. Model. 50(4): 461-469 (2010)
Coauthor Index
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last updated on 2024-10-07 22:14 CEST by the dblp team
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