Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Authors: Zimmermann, Yoel, Bazgir, Adib, Afzal, Zartashia, Agbere, Fariha, Ai, Qianxiang, Alampara, Nawaf, Al-Feghali, Alexander, Ansari, Mehrad, Antypov, Dmytro, Aswad, Amro, Bai, Jiaru, Baibakova, Viktoriia, Biswajeet, Devi Dutta, Bitzek, Erik, Bocarsly, Joshua D., Borisova, Anna, Bran, Andres M, Brinson, L. Catherine, Calderon, Marcel Moran, Canalicchio, Alessandro, Chen, Victor, Chiang, Yuan, Circi, Defne, Charmes, Benjamin, Chaudhary, Vikrant, Chen, Zizhang, Chiu, Min-Hsueh, Clymo, Judith, Dabhadkar, Kedar, Daelman, Nathan, Datar, Archit, de Jong, Wibe A., Evans, Matthew L., Fard, Maryam Ghazizade, Fisicaro, Giuseppe, Gangan, Abhijeet Sadashiv, George, Janine, Gonzalez, Jose D. Cojal, Götte, Michael, Gupta, Ankur K., Harb, Hassan, Hong, Pengyu, Ibrahim, Abdelrahman, Ilyas, Ahmed, Imran, Alishba, Ishimwe, Kevin, Issa, Ramsey, Jablonka, Kevin Maik, Jones, Colin, Josephson, Tyler R., Juhasz, Greg, Kapoor, Sarthak, Kang, Rongda, Khalighinejad, Ghazal, Khan, Sartaaj, Klawohn, Sascha, Kuman, Suneel, Ladines, Alvin Noe, Leang, Sarom, Lederbauer, Magdalena, Sheng-Lun, Liao, Liu, Hao, Liu, Xuefeng, Lo, Stanley, Madireddy, Sandeep, Maharana, Piyush Ranjan, Maheshwari, Shagun, Mahjoubi, Soroush, Márquez, José A., Mills, Rob, Mohanty, Trupti, Mohr, Bernadette, Moosavi, Seyed Mohamad, Moßhammer, Alexander, Naghdi, Amirhossein D., Naik, Aakash, Narykov, Oleksandr, Näsström, Hampus, Nguyen, Xuan Vu, Ni, Xinyi, O'Connor, Dana, Olayiwola, Teslim, Ottomano, Federico, Ozhan, Aleyna Beste, Pagel, Sebastian, Parida, Chiku, Park, Jaehee, Patel, Vraj, Patyukova, Elena, Petersen, Martin Hoffmann, Pinto, Luis, Pizarro, José M., Plessers, Dieter, Pradhan, Tapashree, Pratiush, Utkarsh, Puli, Charishma, Qin, Andrew, Rajabi, Mahyar, Ricci, Francesco, Risch, Elliot, Ríos-García, Martiño, Roy, Aritra, Rug, Tehseen, Sayeed, Hasan M, Scheidgen, Markus, Schilling-Wilhelmi, Mara, Schloz, Marcel, Schöppach, Fabian, Schumann, Julia, Schwaller, Philippe, Schwarting, Marcus, Sharlin, Samiha, Shen, Kevin, Shi, Jiale, Si, Pradip, D'Souza, Jennifer, Sparks, Taylor, Sudhakar, Suraj, Talirz, Leopold, Tang, Dandan, Taran, Olga, Terboven, Carla, Tropin, Mark, Tsymbal, Anastasiia, Ueltzen, Katharina, Unzueta, Pablo Andres, Vasan, Archit, Vinchurkar, Tirtha, Vo, Trung, Vogel, Gabriel, Völker, Christoph, Weinreich, Jan, Yang, Faradawn, Zaki, Mohd, Zhang, Chi, Zhang, Sylvester, Zhang, Weijie, Zhu, Ruijie, Zhu, Shang, Janssen, Jan, Li, Calvin, Foster, Ian, Blaiszik, Ben

Subject Terms: Computer Science - Machine Learning, Condensed Matter - Materials Science, Physics - Chemical Physics

Access URL: http://arxiv.org/abs/2411.15221

Agent-based Learning of Materials Datasets from Scientific Literature

Authors: Ansari, Mehrad, Moosavi, Seyed Mohamad

Subject Terms: Computer Science - Artificial Intelligence

Access URL: http://arxiv.org/abs/2312.11690

SELFIES and the future of molecular string representations

Authors: Krenn, Mario, Ai, Qianxiang, Barthel, Senja, Carson, Nessa, Frei, Angelo, Frey, Nathan C., Friederich, Pascal, Gaudin, Théophile, Gayle, Alberto Alexander, Jablonka, Kevin Maik, Lameiro, Rafael F., Lemm, Dominik, Lo, Alston, Moosavi, Seyed Mohamad, Nápoles-Duarte, José Manuel, Nigam, AkshatKumar, Pollice, Robert, Rajan, Kohulan, Schatzschneider, Ulrich, Schwaller, Philippe, Skreta, Marta, Smit, Berend, Strieth-Kalthoff, Felix, Sun, Chong, Tom, Gary, von Rudorff, Guido Falk, Wang, Andrew, White, Andrew, Young, Adamo, Yu, Rose, Aspuru-Guzik, Alán

Source: Cell Patterns 3(10), 100588(2022)

Subject Terms: Physics - Chemical Physics, Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2204.00056

Big-Data Science in Porous Materials: Materials Genomics and Machine Learning

Authors: Jablonka, Kevin Maik, Ongari, Daniele, Moosavi, Seyed Mohamad, Smit, Berend

Subject Terms: Condensed Matter - Materials Science, Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2001.06728

Reticular chemistry for the rational design of mechanically robust mesoporous merged-net metal-organic frameworks

Authors: Jiang, Hao, Moosavi, Seyed Mohamad, Czaban-Jóźwiak, Justyna, Torre, Bruno, Shkurenko, Aleksander, Ameur, Zied Ouled, Jia, Jiangtao, Alsadun, Norah, Shekhah, Osama, Di Fabrizio, Enzo, Smit, Berend, Eddaoudi, Mohamed

Source: In Matter 4 January 2023 6(1):285-295

Adaptive representation of molecules and materials in Bayesian optimization.

Authors: Rajabi-Kochi, Mahyar, Mahboubi, Negareh, Gill, Aseem Partap Singh, Moosavi, Seyed Mohamad

Source: Chemical Science; 4/7/2025, Vol. 16 Issue 13, p5464-5474, 11p

Toward smart carbon capture with machine learning

Authors: Rahimi, Mohammad, Moosavi, Seyed Mohamad, Smit, Berend, Hatton, T. Alan

Source: In Cell Reports Physical Science 21 April 2021 2(4)

A holistic platform for accelerating sorbent-based carbon capture.

Authors: Charalambous, Charithea, Moubarak, Elias, Schilling, Johannes, Sanchez Fernandez, Eva, Wang, Jin-Yu, Herraiz, Laura, Mcilwaine, Fergus, Peh, Shing Bo, Garvin, Matthew, Jablonka, Kevin Maik, Moosavi, Seyed Mohamad, Van Herck, Joren, Ozturk, Aysu Yurdusen, Pourghaderi, Alireza, Song, Ah-Young, Mouchaham, Georges, Serre, Christian, Reimer, Jeffrey A., Bardow, André, Smit, Berend

Source: Nature; Aug2024, Vol. 632 Issue 8023, p89-94, 6p

Generating carbon schwarzites via zeolite-templating

Authors: Braun, Efrem, Lee, Yongjin, Moosavi, Seyed Mohamad, Barthel, Senja, Mercado, Rocio, Baburin, Igor A., Proserpio, Davide M., Smit, Berend

Source: Proceedings of the National Academy of Sciences of the United States of America, 2018 Aug . 115(35), E8116-E8124.

Access URL: https://www.jstor.org/stable/26530334

Transport characteristics of saturated gas diffusion layers treated with hydrophobic coatings

Authors: Moosavi, Seyed Mohamad, Niffeler, Mathias, Gostick, Jeff, Haussener, Sophia

Source: In Chemical Engineering Science 2 February 2018 176:503-514

Inverse design of porous materials: a diffusion model approach.

Authors: Park, Junkil, Gill, Aseem Partap Singh, Moosavi, Seyed Mohamad, Kim, Jihan

Source: Journal of Materials Chemistry A; 3/21/2024, Vol. 12 Issue 11, p6507-6514, 8p

An Ultra-Low-Noise Buck Converter for Noise-Sensitive Applications

Authors: Besharati Rad, Amir, Kargaran, Masoud, Moosavi, Seyed Mohamad Razi, Meghdadi, Masoud, Medi, Ali

Source: IEEE Transactions on Power Electronics; February 2024, Vol. 39 Issue: 2 p2169-2179, 11p

Electrophoretic velocity of spherical particles in Quemada fluids

Authors: Moosavi, Seyed Mohamad, Sadeghi, Arman, Saidi, Mohammad Said

Source: In Colloids and Surfaces A: Physicochemical and Engineering Aspects 5 September 2013 436:225-230

Design of New Inorganic Crystals with the Desired Composition Using Deep Learning.

Authors: Han, Seunghee, Lee, Jaewan, Han, Sehui, Moosavi, Seyed Mohamad, Kim, Jihan, Park, Changyoung

Source: Journal of Chemical Information & Modeling; 9/25/2023, Vol. 63 Issue 18, p5755-5763, 9p

Effects of Modafinil on Sleep Pattern during Methamphetamine Withdrawal: A Double-blind Randomized Controlled Trial.

Alternate Title: تأثیر مدافینیل بر الگوی خواب هنگام ترک متآمفتامین: یک مطالعه کارآزمایی بالینی تصادفی دو سوکور

Authors: Moosavi, Seyed Mohamad¹, Yazdani-Charati, Jamshid², Amini, Fatemeh¹ f.amini@mazums.ac.ir

Source: Addiction & Health. Summer2019, Vol. 11 Issue 3, p165-172. 8p.

A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture.

Authors: Moubarak, Elias, Moosavi, Seyed Mohamad, Charalambous, Charithea, Garcia, Susana, Smit, Berend

Source: Industrial & Engineering Chemistry Research; 7/5/2023, Vol. 62 Issue 26, p10252-10265, 14p

DigiMOF: A Database of Metal–Organic Framework Synthesis Information Generated via Text Mining.

Authors: Glasby, Lawson T., Gubsch, Kristian, Bence, Rosalee, Oktavian, Rama, Isoko, Kesler, Moosavi, Seyed Mohamad, Cordiner, Joan L., Cole, Jason C., Moghadam, Peyman Z.

Source: Chemistry of Materials; 6/13/2023, Vol. 35 Issue 11, p4510-4524, 15p

Using genetic algorithms to systematically improve the synthesis conditions of Al-PMOF.

Authors: Domingues, Nency P.¹ (AUTHOR), Moosavi, Seyed Mohamad^1,2 (AUTHOR), Talirz, Leopold^1,3 (AUTHOR), Jablonka, Kevin Maik¹ (AUTHOR), Ireland, Christopher P.¹ (AUTHOR), Ebrahim, Fatmah Mish^1,4 (AUTHOR), Smit, Berend¹ (AUTHOR) berend.smit@epfl.ch

Source: Communications Chemistry. 12/10/2022, Vol. 5 Issue 1, p1-8. 8p.

Subject Terms: *GENETIC algorithms, *METAL-organic frameworks, *MACHINE learning, *MICROWAVE drying, *CRYSTALLINITY

Diversifying Databases of Metal Organic Frameworks for High-Throughput Computational Screening.

Authors: Majumdar, Sauradeep, Moosavi, Seyed Mohamad, Jablonka, Kevin Maik, Ongari, Daniele, Smit, Berend

Source: ACS Applied Materials & Interfaces; 12/29/2021, Vol. 13 Issue 51, p61004-61014, 11p

A data-science approach to predict the heat capacity of nanoporous materials

Authors: Moosavi, Seyed Mohamad, Novotny, Balázs Álmos, Ongari, Daniele, Moubarak, Elias, Asgari, Mehrdad, Kadioglu, Özge, Charalambous, Charithea, Ortega-Guerrero, Andres, Farmahini, Amir H., Sarkisov, Lev, Garcia, Susana, Noé, Frank, Smit, Berend

Source: Nature Materials; 20220101, Issue: Preprints p1-7, 7p