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From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Fuente: arXiv

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Main Authors:	Roy, Aritra, Shen, Kevin, MacBride, Andrew, Oladipupo, Awwal, Taskeen, Mudassra, Treyde, Wojtek, Abakar, Ruaa A. E. A., Abbas, Ahmad D., Abdelfatah, Elsayed, Abdullahi, Abbas A., Abyah, Seham S., Adjmi, Chahd Rahyl, Agbere, Fariha, Aggarwal, Savyasanchi, Ahmed, Muhammad, Ahmed, Tasnim, Ajlouni, Motasem, Akke, Mattias, AlAdwan, Hussein, Alazani, Anwaar S., Alharbi, Zahra A., Aljulyhi, Wajd A., AlKubaish, Mohammed A., Almahri, Fatima A., Almohri, Sayed A., Alobo, David Obeh, Alouni, Mohammed, Alqahtani, Azizah S., Alsaigh, Omar, Althagafi, Husain, Aman, Md. Aqib, Ara, Lena, Arifin, Arretche, Ignacio, Ashy, Abdulaziz, Asim, Syeda A., Aswad, Amro, Atta, Adeel, Auer, Sören, Azmi, Abdullah al, Balogun, Toheeb, Banik, Suvo, Baibakova, Viktoriia, Baksh, Shakira A., Bastús, Neus G., Bayard, Christina J., Bazgir, Adib, Beal, Louis, Biberić, Lejla, Billah, Wahid, Biswas, Ankita, Bocarsly, Joshua, Bouzidi, Montassar T., Boydas, Esma B., Briki, Youssef, Buchanan, Cailin, Cafiero, Mauricio, Caliste, Damien, Cao, Yi, Castañeda, Rafael E., Chandy, Sruthy K., Charmes, Benjamin, Chaudhuri, Shayantan, Chen, Yiming, Chen, Alexander, Chen, Jieneng, Chiu, Min-Hsueh, Circi, Defne, Contreras, Cinthya H., Cure, Yoann, Daelman, Nathan, Dantuluri, Roshini, Davy, Thomas, Dawson, William, Didukh, Leonid, Ding, Rui, Doguwa, Aminu R., Draxl, Claudia, Edamadaka, Sathya, Elargab, Oulaya, Ertural, Christina, Evans, Matthew L., Fako, Edvin, Farag, Hossam, Fathurrahman, Nur A., Fedai, Merve, Ferreira, Rodrigo P., Fisicaro, Giuseppe, Frank, Thomas, Gaddipati, Sasi K., Gangan, Abhijeet, Garland, Jennifer, Garrick, James, Genovese, Luigi, Ghadrdran, Maryam, Giri, Sandip, Goulet, Maxime, Goumaz, Jeremy, Gracia, Sara U., Graham, Jacob, Graves, Gabriel, Greenman, Kevin P., Greitemeier, Tim, Gruich, Cameron, Gu, Sophie, Guilbert, Salomé, Gundlach, Hans, Gusta, Muriel F., Haddaoui, Mourad El, Haibel, Alexander J., Haldar, Anubhab, Handa, Vehaan, Harb, Hassan, Harms, Nathan D., Hasan, Abdullah Al, Hassan, Abir, He, Qiyao, Henao-Aristizábal, Andrés, Hoex, Bram, Hong, Sungil, Horvath, Alexander J., Hossain, Md. Shaib, Huang, Yanqi, Huang, Yuqing, Hubaiev, Kostiantyn, Intal, Donald, Inzani, Katherine, Ishimwe, Kevin, Isik, Tugba, Iyer, Gopal R., Jager, Katharina, Janssen, Jan, Jeong, Hyewon, Jirasek, Michael, Josephson, Tyler R., Joshi, Nisarg, Kacem, Yassir Ben, Kalapurakal, Remya A. M., Kamath, Rakesh R., Kanagasenthinathan, Sugan, Kang, Dohun, Kantorow, Jason, Kaygisiz, Kübra, Keceli, Murat, Keya, Farhana, Khan, Muhammad U., Khan, Sartaaj Takrim, Kim, Hyungjun, Kister, Alexander, Klawohn, Sascha, Kovacs, Collin, Krishnan, Pranav, Kryzanowski, Maurycy, Kumar, Ritesh, Kumari, Suman, Kumbhojkar, Gourav, Kuroki, Ryo, Kushwaha, Shashank, Lederbauer, Magdalena, Lee, Jaejun, Lee, Seunghan, Lee, Jeonghwan, Li, Bingcan, Li, Calvin, Li, Zhanzhao, Li, Shi, Li, Shicheng, Liu, Chengyan, Liu, Hao, Liu, Tung Yan, Liu, Yutong, Vina-Lopez, Lucia, Lortaraparsert, Chayaphol, Low, Andre K. Y., Luxford, Saffron, Madariaga, Carlos, Magar, Rishikesh, Maharana, Piyush R., Mallela, Rahul, Mahmud, Shoaib, Mani, Natesan, Mansoor, Umair, Mansour, Omar B., Masschelein, Cassandra, Mastej, Kinga O., Mathanker, Ankit, Meng, Jeffrey, Mezghani, Omran, Ming, Yidong, Mitra, Rishav, Mitsakis, Michail, Miyagishima, Matthew, Mohan, Ravikumar, Mohanraj, Naveen R., Mohanty, Trupti, Mohr, Bernadette, Molina-Bakhos, Francisco A., Monat, Jeremy, Moosavi, Seyed Mohamad, Mousavi, Shayan, Moussavi, Arman, Mozumber, Rubel, Mufti, Muhammad J., Muhammed, Diyana, Munde, Ram, Munjal, Mrigi, Márquez, José A., Nag, Shankha, Nagaro, Giacomo, Nam, Juno, Napoles-Duarte, Jose M., Nduma, Ry, Nguyen, Xuan-Vu, Norouzi, Ebrahim, Ohiro, Oluwatosin, Okabe, Ryotaro, Ordillo, Viejay, Ozawa, Shuichiro, Pagel, Sebastian, Palmer, Daniel, Pan, Angela, Pandey, Akash, Pandit, Vivek, Pandit, Prakul, Parida, Chiku, Park, Jaehee, Park, Hyunsoo, Patel, Hemangi, Pathak, Shakul, Pattnaik, Taradutt, Patyukova, Elena, Paulson, Noah, Pendyala, Deepak S., Pepek, Erick S., Petersen, Martin H., Pham, Thang D., Phutane, Aniket, Pinky, Sabila K., Polack, Étienne, Polasik, Alison, Politi, Maria, Pongratz, Tim, Ponugoti, Akhila, Priante, Fabio, Pruyn, Thomas Michael, Puppala, Sai S., Qazi, Mohammad A., Quosdorf, Heike, Rabby, Gollam, Raei, Mohammad J., Rahman, Md. Habibur, Rahman, A. B. M. Ashikur, Rajasekaran, Subhashree, Rakib, Tawfiqur, Ramesh, Hemanth N., Ranadive, Vrushali, Ranka, Karnamohit, Rankovic, Bojana, Ravichandran, Adwaith, Rašović, Ilija, Rigin, Sergei, Rios, Tatem, Rishi, Varun, Robinson, Victor Naden, Rodrigues, Lucas S., Rodriguez, Oswaldo, Roy, Mahule, Roy, Diptendu, Roy, Subhas, M, Arokia Anto Royan, Rudzinski, Joseph F., Sabih, Muhammad, Sahoo, Subramanyam, Sain, Srusti Bheem, Saliya, Thahira, Sampath, Vignesh, Sanchez, Jesus Diaz, Santos, Arthur S. S., Satria, Muliady, Sayeed, Hasan M., Schaarschmidt, Jörg, Schwaller, Philippe, Segal, Nofit, Senthilvel, Abhishec, Shabih, Sherjeel, Shah, Devanshu, Shahmoradi, Faezeh, Sharlin, Samiha, Sheriff, Killian, Shi, Qiuyu, Shuaibu, Abubakar D., Siddiqua, Ayesha, Siddiqui, M. A. Shadab, Smalley, Darian, Smith, Benjamin, Sparks, Taylor D., Speckhard, Daniel T., Stojanovska, Elena, Subramanian, Akshay, Sun, Jiwon, Sun, Yunkai, Syed, Abdul W., Ta, Souvik, Takahara, Izumi, Tallau, Kelly, Tang, Guannan, Tariq, Ans B., Tay, Sui X., Temirbay, Nurlybek, Tiwari, Surya P., Tom, Febin, Trapier, Tajah, Trerayapiwat, Kasidet J., Tripathi, Samanvya, Tuhaifa, Hawra H., Unal, Mustafa, Uzair, Mohammad, Vasudevan, Vallabh, Vazquez, Estefania, Venturi, Victor, Verma, Rahul, Verma, Ashwini, Vazquez-Mayagoitia, Alvaro, Wagner, Nicholas, Wakiuchi, Araki, Wan, Hao, Wang, Liaoyaqi, Wenzel, Wolfgang, Wieczorek, Alexander, Wong, Sze H., Wu, Yue, Xie, Tong, Yi, Andrew, Yin, Ziqi, Yuwono, Jodie A., Zaid, Nahed A., Zaki, Mohd, Zaman, Shehtab, Zarewa, Maimuna U., Zehtab, Mahtab, Zhang, Baosen, Zhang, Wenyu, Zhang, Melody, Zhang, Yangfan, Zhang, Yuwen, Zhang, Runze, Zhang, Zongmin, Zhao, Huanhuan, Zheng, Yuanlong Bill, Zidani, Ramzi, Zong, Xue, Foster, Ian, Blaiszik, Ben
Format:	Preprint
Published:	2026
Subjects:	Materials Science Artificial Intelligence
Online Access:	Acceder al recurso
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_version_	1866917460739883008
author	Roy, Aritra Shen, Kevin MacBride, Andrew Oladipupo, Awwal Taskeen, Mudassra Treyde, Wojtek Abakar, Ruaa A. E. A. Abbas, Ahmad D. Abdelfatah, Elsayed Abdullahi, Abbas A. Abyah, Seham S. Adjmi, Chahd Rahyl Agbere, Fariha Aggarwal, Savyasanchi Ahmed, Muhammad Ahmed, Tasnim Ajlouni, Motasem Akke, Mattias AlAdwan, Hussein Alazani, Anwaar S. Alharbi, Zahra A. Aljulyhi, Wajd A. AlKubaish, Mohammed A. Almahri, Fatima A. Almohri, Sayed A. Alobo, David Obeh Alouni, Mohammed Alqahtani, Azizah S. Alsaigh, Omar Althagafi, Husain Aman, Md. Aqib Ara, Lena Arifin Arretche, Ignacio Ashy, Abdulaziz Asim, Syeda A. Aswad, Amro Atta, Adeel Auer, Sören Azmi, Abdullah al Balogun, Toheeb Banik, Suvo Baibakova, Viktoriia Baksh, Shakira A. Bastús, Neus G. Bayard, Christina J. Bazgir, Adib Beal, Louis Biberić, Lejla Billah, Wahid Biswas, Ankita Bocarsly, Joshua Bouzidi, Montassar T. Boydas, Esma B. Briki, Youssef Buchanan, Cailin Cafiero, Mauricio Caliste, Damien Cao, Yi Castañeda, Rafael E. Chandy, Sruthy K. Charmes, Benjamin Chaudhuri, Shayantan Chen, Yiming Chen, Alexander Chen, Jieneng Chiu, Min-Hsueh Circi, Defne Contreras, Cinthya H. Cure, Yoann Daelman, Nathan Dantuluri, Roshini Davy, Thomas Dawson, William Didukh, Leonid Ding, Rui Doguwa, Aminu R. Draxl, Claudia Edamadaka, Sathya Elargab, Oulaya Ertural, Christina Evans, Matthew L. Fako, Edvin Farag, Hossam Fathurrahman, Nur A. Fedai, Merve Ferreira, Rodrigo P. Fisicaro, Giuseppe Frank, Thomas Gaddipati, Sasi K. Gangan, Abhijeet Garland, Jennifer Garrick, James Genovese, Luigi Ghadrdran, Maryam Giri, Sandip Goulet, Maxime Goumaz, Jeremy Gracia, Sara U. Graham, Jacob Graves, Gabriel Greenman, Kevin P. Greitemeier, Tim Gruich, Cameron Gu, Sophie Guilbert, Salomé Gundlach, Hans Gusta, Muriel F. Haddaoui, Mourad El Haibel, Alexander J. Haldar, Anubhab Handa, Vehaan Harb, Hassan Harms, Nathan D. Hasan, Abdullah Al Hassan, Abir He, Qiyao Henao-Aristizábal, Andrés Hoex, Bram Hong, Sungil Horvath, Alexander J. Hossain, Md. Shaib Huang, Yanqi Huang, Yuqing Hubaiev, Kostiantyn Intal, Donald Inzani, Katherine Ishimwe, Kevin Isik, Tugba Iyer, Gopal R. Jager, Katharina Janssen, Jan Jeong, Hyewon Jirasek, Michael Josephson, Tyler R. Joshi, Nisarg Kacem, Yassir Ben Kalapurakal, Remya A. M. Kamath, Rakesh R. Kanagasenthinathan, Sugan Kang, Dohun Kantorow, Jason Kaygisiz, Kübra Keceli, Murat Keya, Farhana Khan, Muhammad U. Khan, Sartaaj Takrim Kim, Hyungjun Kister, Alexander Klawohn, Sascha Kovacs, Collin Krishnan, Pranav Kryzanowski, Maurycy Kumar, Ritesh Kumari, Suman Kumbhojkar, Gourav Kuroki, Ryo Kushwaha, Shashank Lederbauer, Magdalena Lee, Jaejun Lee, Seunghan Lee, Jeonghwan Li, Bingcan Li, Calvin Li, Zhanzhao Li, Shi Li, Shicheng Liu, Chengyan Liu, Hao Liu, Tung Yan Liu, Yutong Vina-Lopez, Lucia Lortaraparsert, Chayaphol Low, Andre K. Y. Luxford, Saffron Madariaga, Carlos Magar, Rishikesh Maharana, Piyush R. Mallela, Rahul Mahmud, Shoaib Mani, Natesan Mansoor, Umair Mansour, Omar B. Masschelein, Cassandra Mastej, Kinga O. Mathanker, Ankit Meng, Jeffrey Mezghani, Omran Ming, Yidong Mitra, Rishav Mitsakis, Michail Miyagishima, Matthew Mohan, Ravikumar Mohanraj, Naveen R. Mohanty, Trupti Mohr, Bernadette Molina-Bakhos, Francisco A. Monat, Jeremy Moosavi, Seyed Mohamad Mousavi, Shayan Moussavi, Arman Mozumber, Rubel Mufti, Muhammad J. Muhammed, Diyana Munde, Ram Munjal, Mrigi Márquez, José A. Nag, Shankha Nagaro, Giacomo Nam, Juno Napoles-Duarte, Jose M. Nduma, Ry Nguyen, Xuan-Vu Norouzi, Ebrahim Ohiro, Oluwatosin Okabe, Ryotaro Ordillo, Viejay Ozawa, Shuichiro Pagel, Sebastian Palmer, Daniel Pan, Angela Pandey, Akash Pandit, Vivek Pandit, Prakul Parida, Chiku Park, Jaehee Park, Hyunsoo Patel, Hemangi Pathak, Shakul Pattnaik, Taradutt Patyukova, Elena Paulson, Noah Pendyala, Deepak S. Pepek, Erick S. Petersen, Martin H. Pham, Thang D. Phutane, Aniket Pinky, Sabila K. Polack, Étienne Polasik, Alison Politi, Maria Pongratz, Tim Ponugoti, Akhila Priante, Fabio Pruyn, Thomas Michael Puppala, Sai S. Qazi, Mohammad A. Quosdorf, Heike Rabby, Gollam Raei, Mohammad J. Rahman, Md. Habibur Rahman, A. B. M. Ashikur Rajasekaran, Subhashree Rakib, Tawfiqur Ramesh, Hemanth N. Ranadive, Vrushali Ranka, Karnamohit Rankovic, Bojana Ravichandran, Adwaith Rašović, Ilija Rigin, Sergei Rios, Tatem Rishi, Varun Robinson, Victor Naden Rodrigues, Lucas S. Rodriguez, Oswaldo Roy, Mahule Roy, Diptendu Roy, Subhas M, Arokia Anto Royan Rudzinski, Joseph F. Sabih, Muhammad Sahoo, Subramanyam Sain, Srusti Bheem Saliya, Thahira Sampath, Vignesh Sanchez, Jesus Diaz Santos, Arthur S. S. Satria, Muliady Sayeed, Hasan M. Schaarschmidt, Jörg Schwaller, Philippe Segal, Nofit Senthilvel, Abhishec Shabih, Sherjeel Shah, Devanshu Shahmoradi, Faezeh Sharlin, Samiha Sheriff, Killian Shi, Qiuyu Shuaibu, Abubakar D. Siddiqua, Ayesha Siddiqui, M. A. Shadab Smalley, Darian Smith, Benjamin Sparks, Taylor D. Speckhard, Daniel T. Stojanovska, Elena Subramanian, Akshay Sun, Jiwon Sun, Yunkai Syed, Abdul W. Ta, Souvik Takahara, Izumi Tallau, Kelly Tang, Guannan Tariq, Ans B. Tay, Sui X. Temirbay, Nurlybek Tiwari, Surya P. Tom, Febin Trapier, Tajah Trerayapiwat, Kasidet J. Tripathi, Samanvya Tuhaifa, Hawra H. Unal, Mustafa Uzair, Mohammad Vasudevan, Vallabh Vazquez, Estefania Venturi, Victor Verma, Rahul Verma, Ashwini Vazquez-Mayagoitia, Alvaro Wagner, Nicholas Wakiuchi, Araki Wan, Hao Wang, Liaoyaqi Wenzel, Wolfgang Wieczorek, Alexander Wong, Sze H. Wu, Yue Xie, Tong Yi, Andrew Yin, Ziqi Yuwono, Jodie A. Zaid, Nahed A. Zaki, Mohd Zaman, Shehtab Zarewa, Maimuna U. Zehtab, Mahtab Zhang, Baosen Zhang, Wenyu Zhang, Melody Zhang, Yangfan Zhang, Yuwen Zhang, Runze Zhang, Zongmin Zhao, Huanhuan Zheng, Yuanlong Bill Zidani, Ramzi Zong, Xue Foster, Ian Blaiszik, Ben
author_facet	Roy, Aritra Shen, Kevin MacBride, Andrew Oladipupo, Awwal Taskeen, Mudassra Treyde, Wojtek Abakar, Ruaa A. E. A. Abbas, Ahmad D. Abdelfatah, Elsayed Abdullahi, Abbas A. Abyah, Seham S. Adjmi, Chahd Rahyl Agbere, Fariha Aggarwal, Savyasanchi Ahmed, Muhammad Ahmed, Tasnim Ajlouni, Motasem Akke, Mattias AlAdwan, Hussein Alazani, Anwaar S. Alharbi, Zahra A. Aljulyhi, Wajd A. AlKubaish, Mohammed A. Almahri, Fatima A. Almohri, Sayed A. Alobo, David Obeh Alouni, Mohammed Alqahtani, Azizah S. Alsaigh, Omar Althagafi, Husain Aman, Md. Aqib Ara, Lena Arifin Arretche, Ignacio Ashy, Abdulaziz Asim, Syeda A. Aswad, Amro Atta, Adeel Auer, Sören Azmi, Abdullah al Balogun, Toheeb Banik, Suvo Baibakova, Viktoriia Baksh, Shakira A. Bastús, Neus G. Bayard, Christina J. Bazgir, Adib Beal, Louis Biberić, Lejla Billah, Wahid Biswas, Ankita Bocarsly, Joshua Bouzidi, Montassar T. Boydas, Esma B. Briki, Youssef Buchanan, Cailin Cafiero, Mauricio Caliste, Damien Cao, Yi Castañeda, Rafael E. Chandy, Sruthy K. Charmes, Benjamin Chaudhuri, Shayantan Chen, Yiming Chen, Alexander Chen, Jieneng Chiu, Min-Hsueh Circi, Defne Contreras, Cinthya H. Cure, Yoann Daelman, Nathan Dantuluri, Roshini Davy, Thomas Dawson, William Didukh, Leonid Ding, Rui Doguwa, Aminu R. Draxl, Claudia Edamadaka, Sathya Elargab, Oulaya Ertural, Christina Evans, Matthew L. Fako, Edvin Farag, Hossam Fathurrahman, Nur A. Fedai, Merve Ferreira, Rodrigo P. Fisicaro, Giuseppe Frank, Thomas Gaddipati, Sasi K. Gangan, Abhijeet Garland, Jennifer Garrick, James Genovese, Luigi Ghadrdran, Maryam Giri, Sandip Goulet, Maxime Goumaz, Jeremy Gracia, Sara U. Graham, Jacob Graves, Gabriel Greenman, Kevin P. Greitemeier, Tim Gruich, Cameron Gu, Sophie Guilbert, Salomé Gundlach, Hans Gusta, Muriel F. Haddaoui, Mourad El Haibel, Alexander J. Haldar, Anubhab Handa, Vehaan Harb, Hassan Harms, Nathan D. Hasan, Abdullah Al Hassan, Abir He, Qiyao Henao-Aristizábal, Andrés Hoex, Bram Hong, Sungil Horvath, Alexander J. Hossain, Md. Shaib Huang, Yanqi Huang, Yuqing Hubaiev, Kostiantyn Intal, Donald Inzani, Katherine Ishimwe, Kevin Isik, Tugba Iyer, Gopal R. Jager, Katharina Janssen, Jan Jeong, Hyewon Jirasek, Michael Josephson, Tyler R. Joshi, Nisarg Kacem, Yassir Ben Kalapurakal, Remya A. M. Kamath, Rakesh R. Kanagasenthinathan, Sugan Kang, Dohun Kantorow, Jason Kaygisiz, Kübra Keceli, Murat Keya, Farhana Khan, Muhammad U. Khan, Sartaaj Takrim Kim, Hyungjun Kister, Alexander Klawohn, Sascha Kovacs, Collin Krishnan, Pranav Kryzanowski, Maurycy Kumar, Ritesh Kumari, Suman Kumbhojkar, Gourav Kuroki, Ryo Kushwaha, Shashank Lederbauer, Magdalena Lee, Jaejun Lee, Seunghan Lee, Jeonghwan Li, Bingcan Li, Calvin Li, Zhanzhao Li, Shi Li, Shicheng Liu, Chengyan Liu, Hao Liu, Tung Yan Liu, Yutong Vina-Lopez, Lucia Lortaraparsert, Chayaphol Low, Andre K. Y. Luxford, Saffron Madariaga, Carlos Magar, Rishikesh Maharana, Piyush R. Mallela, Rahul Mahmud, Shoaib Mani, Natesan Mansoor, Umair Mansour, Omar B. Masschelein, Cassandra Mastej, Kinga O. Mathanker, Ankit Meng, Jeffrey Mezghani, Omran Ming, Yidong Mitra, Rishav Mitsakis, Michail Miyagishima, Matthew Mohan, Ravikumar Mohanraj, Naveen R. Mohanty, Trupti Mohr, Bernadette Molina-Bakhos, Francisco A. Monat, Jeremy Moosavi, Seyed Mohamad Mousavi, Shayan Moussavi, Arman Mozumber, Rubel Mufti, Muhammad J. Muhammed, Diyana Munde, Ram Munjal, Mrigi Márquez, José A. Nag, Shankha Nagaro, Giacomo Nam, Juno Napoles-Duarte, Jose M. Nduma, Ry Nguyen, Xuan-Vu Norouzi, Ebrahim Ohiro, Oluwatosin Okabe, Ryotaro Ordillo, Viejay Ozawa, Shuichiro Pagel, Sebastian Palmer, Daniel Pan, Angela Pandey, Akash Pandit, Vivek Pandit, Prakul Parida, Chiku Park, Jaehee Park, Hyunsoo Patel, Hemangi Pathak, Shakul Pattnaik, Taradutt Patyukova, Elena Paulson, Noah Pendyala, Deepak S. Pepek, Erick S. Petersen, Martin H. Pham, Thang D. Phutane, Aniket Pinky, Sabila K. Polack, Étienne Polasik, Alison Politi, Maria Pongratz, Tim Ponugoti, Akhila Priante, Fabio Pruyn, Thomas Michael Puppala, Sai S. Qazi, Mohammad A. Quosdorf, Heike Rabby, Gollam Raei, Mohammad J. Rahman, Md. Habibur Rahman, A. B. M. Ashikur Rajasekaran, Subhashree Rakib, Tawfiqur Ramesh, Hemanth N. Ranadive, Vrushali Ranka, Karnamohit Rankovic, Bojana Ravichandran, Adwaith Rašović, Ilija Rigin, Sergei Rios, Tatem Rishi, Varun Robinson, Victor Naden Rodrigues, Lucas S. Rodriguez, Oswaldo Roy, Mahule Roy, Diptendu Roy, Subhas M, Arokia Anto Royan Rudzinski, Joseph F. Sabih, Muhammad Sahoo, Subramanyam Sain, Srusti Bheem Saliya, Thahira Sampath, Vignesh Sanchez, Jesus Diaz Santos, Arthur S. S. Satria, Muliady Sayeed, Hasan M. Schaarschmidt, Jörg Schwaller, Philippe Segal, Nofit Senthilvel, Abhishec Shabih, Sherjeel Shah, Devanshu Shahmoradi, Faezeh Sharlin, Samiha Sheriff, Killian Shi, Qiuyu Shuaibu, Abubakar D. Siddiqua, Ayesha Siddiqui, M. A. Shadab Smalley, Darian Smith, Benjamin Sparks, Taylor D. Speckhard, Daniel T. Stojanovska, Elena Subramanian, Akshay Sun, Jiwon Sun, Yunkai Syed, Abdul W. Ta, Souvik Takahara, Izumi Tallau, Kelly Tang, Guannan Tariq, Ans B. Tay, Sui X. Temirbay, Nurlybek Tiwari, Surya P. Tom, Febin Trapier, Tajah Trerayapiwat, Kasidet J. Tripathi, Samanvya Tuhaifa, Hawra H. Unal, Mustafa Uzair, Mohammad Vasudevan, Vallabh Vazquez, Estefania Venturi, Victor Verma, Rahul Verma, Ashwini Vazquez-Mayagoitia, Alvaro Wagner, Nicholas Wakiuchi, Araki Wan, Hao Wang, Liaoyaqi Wenzel, Wolfgang Wieczorek, Alexander Wong, Sze H. Wu, Yue Xie, Tong Yi, Andrew Yin, Ziqi Yuwono, Jodie A. Zaid, Nahed A. Zaki, Mohd Zaman, Shehtab Zarewa, Maimuna U. Zehtab, Mahtab Zhang, Baosen Zhang, Wenyu Zhang, Melody Zhang, Yangfan Zhang, Yuwen Zhang, Runze Zhang, Zongmin Zhao, Huanhuan Zheng, Yuanlong Bill Zidani, Ramzi Zong, Xue Foster, Ian Blaiszik, Ben
contents	Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.
format	Preprint
id	arxiv_https___arxiv_org_abs_2605_03205
institution	arXiv
publishDate	2026
record_format	arxiv
spellingShingle	From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry Roy, Aritra Shen, Kevin MacBride, Andrew Oladipupo, Awwal Taskeen, Mudassra Treyde, Wojtek Abakar, Ruaa A. E. A. Abbas, Ahmad D. Abdelfatah, Elsayed Abdullahi, Abbas A. Abyah, Seham S. Adjmi, Chahd Rahyl Agbere, Fariha Aggarwal, Savyasanchi Ahmed, Muhammad Ahmed, Tasnim Ajlouni, Motasem Akke, Mattias AlAdwan, Hussein Alazani, Anwaar S. Alharbi, Zahra A. Aljulyhi, Wajd A. AlKubaish, Mohammed A. Almahri, Fatima A. Almohri, Sayed A. Alobo, David Obeh Alouni, Mohammed Alqahtani, Azizah S. Alsaigh, Omar Althagafi, Husain Aman, Md. Aqib Ara, Lena Arifin Arretche, Ignacio Ashy, Abdulaziz Asim, Syeda A. Aswad, Amro Atta, Adeel Auer, Sören Azmi, Abdullah al Balogun, Toheeb Banik, Suvo Baibakova, Viktoriia Baksh, Shakira A. Bastús, Neus G. Bayard, Christina J. Bazgir, Adib Beal, Louis Biberić, Lejla Billah, Wahid Biswas, Ankita Bocarsly, Joshua Bouzidi, Montassar T. Boydas, Esma B. Briki, Youssef Buchanan, Cailin Cafiero, Mauricio Caliste, Damien Cao, Yi Castañeda, Rafael E. Chandy, Sruthy K. Charmes, Benjamin Chaudhuri, Shayantan Chen, Yiming Chen, Alexander Chen, Jieneng Chiu, Min-Hsueh Circi, Defne Contreras, Cinthya H. Cure, Yoann Daelman, Nathan Dantuluri, Roshini Davy, Thomas Dawson, William Didukh, Leonid Ding, Rui Doguwa, Aminu R. Draxl, Claudia Edamadaka, Sathya Elargab, Oulaya Ertural, Christina Evans, Matthew L. Fako, Edvin Farag, Hossam Fathurrahman, Nur A. Fedai, Merve Ferreira, Rodrigo P. Fisicaro, Giuseppe Frank, Thomas Gaddipati, Sasi K. Gangan, Abhijeet Garland, Jennifer Garrick, James Genovese, Luigi Ghadrdran, Maryam Giri, Sandip Goulet, Maxime Goumaz, Jeremy Gracia, Sara U. Graham, Jacob Graves, Gabriel Greenman, Kevin P. Greitemeier, Tim Gruich, Cameron Gu, Sophie Guilbert, Salomé Gundlach, Hans Gusta, Muriel F. Haddaoui, Mourad El Haibel, Alexander J. Haldar, Anubhab Handa, Vehaan Harb, Hassan Harms, Nathan D. Hasan, Abdullah Al Hassan, Abir He, Qiyao Henao-Aristizábal, Andrés Hoex, Bram Hong, Sungil Horvath, Alexander J. Hossain, Md. Shaib Huang, Yanqi Huang, Yuqing Hubaiev, Kostiantyn Intal, Donald Inzani, Katherine Ishimwe, Kevin Isik, Tugba Iyer, Gopal R. Jager, Katharina Janssen, Jan Jeong, Hyewon Jirasek, Michael Josephson, Tyler R. Joshi, Nisarg Kacem, Yassir Ben Kalapurakal, Remya A. M. Kamath, Rakesh R. Kanagasenthinathan, Sugan Kang, Dohun Kantorow, Jason Kaygisiz, Kübra Keceli, Murat Keya, Farhana Khan, Muhammad U. Khan, Sartaaj Takrim Kim, Hyungjun Kister, Alexander Klawohn, Sascha Kovacs, Collin Krishnan, Pranav Kryzanowski, Maurycy Kumar, Ritesh Kumari, Suman Kumbhojkar, Gourav Kuroki, Ryo Kushwaha, Shashank Lederbauer, Magdalena Lee, Jaejun Lee, Seunghan Lee, Jeonghwan Li, Bingcan Li, Calvin Li, Zhanzhao Li, Shi Li, Shicheng Liu, Chengyan Liu, Hao Liu, Tung Yan Liu, Yutong Vina-Lopez, Lucia Lortaraparsert, Chayaphol Low, Andre K. Y. Luxford, Saffron Madariaga, Carlos Magar, Rishikesh Maharana, Piyush R. Mallela, Rahul Mahmud, Shoaib Mani, Natesan Mansoor, Umair Mansour, Omar B. Masschelein, Cassandra Mastej, Kinga O. Mathanker, Ankit Meng, Jeffrey Mezghani, Omran Ming, Yidong Mitra, Rishav Mitsakis, Michail Miyagishima, Matthew Mohan, Ravikumar Mohanraj, Naveen R. Mohanty, Trupti Mohr, Bernadette Molina-Bakhos, Francisco A. Monat, Jeremy Moosavi, Seyed Mohamad Mousavi, Shayan Moussavi, Arman Mozumber, Rubel Mufti, Muhammad J. Muhammed, Diyana Munde, Ram Munjal, Mrigi Márquez, José A. Nag, Shankha Nagaro, Giacomo Nam, Juno Napoles-Duarte, Jose M. Nduma, Ry Nguyen, Xuan-Vu Norouzi, Ebrahim Ohiro, Oluwatosin Okabe, Ryotaro Ordillo, Viejay Ozawa, Shuichiro Pagel, Sebastian Palmer, Daniel Pan, Angela Pandey, Akash Pandit, Vivek Pandit, Prakul Parida, Chiku Park, Jaehee Park, Hyunsoo Patel, Hemangi Pathak, Shakul Pattnaik, Taradutt Patyukova, Elena Paulson, Noah Pendyala, Deepak S. Pepek, Erick S. Petersen, Martin H. Pham, Thang D. Phutane, Aniket Pinky, Sabila K. Polack, Étienne Polasik, Alison Politi, Maria Pongratz, Tim Ponugoti, Akhila Priante, Fabio Pruyn, Thomas Michael Puppala, Sai S. Qazi, Mohammad A. Quosdorf, Heike Rabby, Gollam Raei, Mohammad J. Rahman, Md. Habibur Rahman, A. B. M. Ashikur Rajasekaran, Subhashree Rakib, Tawfiqur Ramesh, Hemanth N. Ranadive, Vrushali Ranka, Karnamohit Rankovic, Bojana Ravichandran, Adwaith Rašović, Ilija Rigin, Sergei Rios, Tatem Rishi, Varun Robinson, Victor Naden Rodrigues, Lucas S. Rodriguez, Oswaldo Roy, Mahule Roy, Diptendu Roy, Subhas M, Arokia Anto Royan Rudzinski, Joseph F. Sabih, Muhammad Sahoo, Subramanyam Sain, Srusti Bheem Saliya, Thahira Sampath, Vignesh Sanchez, Jesus Diaz Santos, Arthur S. S. Satria, Muliady Sayeed, Hasan M. Schaarschmidt, Jörg Schwaller, Philippe Segal, Nofit Senthilvel, Abhishec Shabih, Sherjeel Shah, Devanshu Shahmoradi, Faezeh Sharlin, Samiha Sheriff, Killian Shi, Qiuyu Shuaibu, Abubakar D. Siddiqua, Ayesha Siddiqui, M. A. Shadab Smalley, Darian Smith, Benjamin Sparks, Taylor D. Speckhard, Daniel T. Stojanovska, Elena Subramanian, Akshay Sun, Jiwon Sun, Yunkai Syed, Abdul W. Ta, Souvik Takahara, Izumi Tallau, Kelly Tang, Guannan Tariq, Ans B. Tay, Sui X. Temirbay, Nurlybek Tiwari, Surya P. Tom, Febin Trapier, Tajah Trerayapiwat, Kasidet J. Tripathi, Samanvya Tuhaifa, Hawra H. Unal, Mustafa Uzair, Mohammad Vasudevan, Vallabh Vazquez, Estefania Venturi, Victor Verma, Rahul Verma, Ashwini Vazquez-Mayagoitia, Alvaro Wagner, Nicholas Wakiuchi, Araki Wan, Hao Wang, Liaoyaqi Wenzel, Wolfgang Wieczorek, Alexander Wong, Sze H. Wu, Yue Xie, Tong Yi, Andrew Yin, Ziqi Yuwono, Jodie A. Zaid, Nahed A. Zaki, Mohd Zaman, Shehtab Zarewa, Maimuna U. Zehtab, Mahtab Zhang, Baosen Zhang, Wenyu Zhang, Melody Zhang, Yangfan Zhang, Yuwen Zhang, Runze Zhang, Zongmin Zhao, Huanhuan Zheng, Yuanlong Bill Zidani, Ramzi Zong, Xue Foster, Ian Blaiszik, Ben Materials Science Artificial Intelligence Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.
title	From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
topic	Materials Science Artificial Intelligence
url	https://arxiv.org/abs/2605.03205