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ORCIDAndres M. Bran
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2020 – today
- 2025
[i10]Andres M. Bran, Théo A. Neukomm
, Daniel P. Armstrong, Zlatko Joncev, Philippe Schwaller:
Chemical reasoning in LLMs unlocks steerable synthesis planning and reaction mechanism elucidation. CoRR abs/2503.08537 (2025)- [i9]Sha Zhang, Suorong Yang, Tong Xie, Xiangyuan Xue, Zixuan Hu, Rui Li, Wenxi Qu, Zhenfei Yin, Tianfan Fu, Di Hu, Andres M. Bran, Nian Ran, Bram Hoex, Wangmeng Zuo, Philippe Schwaller, Wanli Ouyang, Lei Bai, Yanyong Zhang, Lingyu Duan, Shixiang Tang, Dongzhan Zhou:
Position: Intelligent Science Laboratory Requires the Integration of Cognitive and Embodied AI. CoRR abs/2506.19613 (2025) - [i8]Daniel P. Armstrong, Zlatko Joncev, Andres M. Bran, Philippe Schwaller:
SynthStrategy: Extracting and Formalizing Latent Strategic Insights from LLMs in Organic Chemistry. CoRR abs/2512.01507 (2025) - [i7]Zhangde Song, Jieyu Lu, Yuanqi Du, Botao Yu, Thomas M. Pruyn, Yue Huang, Kehan Guo, Xiuzhe Luo, Yuanhao Qu, Yi Qu, Yinkai Wang, Haorui Wang, Jeff Guo, Jingru Gan, Parshin Shojaee, Di Luo, Andres M. Bran, Gen Li, Qiyuan Zhao, Shao-Xiong Lennon Luo, Yuxuan Zhang, Xiang Zou, Wanru Zhao, Yifan F. Zhang, Wucheng Zhang, Shunan Zheng, Saiyang Zhang, Sartaaj Takrim Khan, Mahyar Rajabi Kochi, Samantha Paradi-Maropakis, Tony Baltoiu, Fengyu Xie, Tianyang Chen, Kexin Huang, Weiliang Luo, Meijing Fang, Xin Yang, Lixue Cheng, Jiajun He, Soha Hassoun, Xiangliang Zhang, Wei Wang, Chandan K. Reddy, Chao Zhang, Zhiling Zheng, Mengdi Wang, Le Cong, Carla P. Gomes, Chang-Yu Hsieh, Aditya Nandy, Philippe Schwaller, Heather J. Kulik, Haojun Jia, Huan Sun, Seyed Mohamad Moosavi, Chenru Duan:
Evaluating Large Language Models in Scientific Discovery. CoRR abs/2512.15567 (2025) - [i6]Nguyen Xuan-Vu, Daniel P. Armstrong, Milena Wehrbach, Andres M. Bran, Zlatko Joncev, Philippe Schwaller:
Synthelite: Chemist-aligned and feasibility-aware synthesis planning with LLMs. CoRR abs/2512.16424 (2025) - [i5]Andres M. Bran, Tong Xie, Shai Pranesh, Jeffrey Meng, Xuan Vu Nguyen, Jeremy Goumaz, David Ming Segura, Ruizhi Xu, Dongzhan Zhou, Wenjie Zhang, Bram Hoex, Philippe Schwaller:
MiST: Understanding the Role of Mid-Stage Scientific Training in Developing Chemical Reasoning Models. CoRR abs/2512.21231 (2025) - 2024
- [j1]Andres M. Bran, Sam Cox, Oliver Schilter, Carlo Baldassari, Andrew D. White, Philippe Schwaller:
Augmenting large language models with chemistry tools. Nat. Mac. Intell. 6(5): 525-535 (2024) - [i4]Yoel Zimmermann, Adib Bazgir, Zartashia Afzal, Fariha Agbere, Qianxiang Ai, Nawaf Alampara, Alexander Al-Feghali, Mehrad Ansari, Dmytro Antypov, Amro Aswad, Jiaru Bai, Viktoriia Baibakova, Devi Dutta Biswajeet, Erik Bitzek, Joshua D. Bocarsly, Anna S. Borisova, Andres M. Bran, L. Catherine Brinson, Marcel Moran Calderon, Alessandro Canalicchio, Victor Chen, Yuan Chiang, Defne Circi, Benjamin Charmes, Vikrant Chaudhary, Zizhang Chen, Min-Hsueh Chiu, Judith Clymo, Kedar Dabhadkar, Nathan Daelman, Archit Datar, Matthew L. Evans, Maryam Ghazizade Fard, Giuseppe Fisicaro, Abhijeet Sadashiv Gangan, Janine George, Jose D. Cojal Gonzalez, Michael Götte, Ankur K. Gupta, Hassan Harb, Pengyu Hong, Abdelrahman Ibrahim, Ahmed Ilyas, Alishba Imran, Kevin Ishimwe, Ramsey Issa, Kevin Maik Jablonka, Colin Jones, Tyler R. Josephson, Greg Juhasz, Sarthak Kapoor, Rongda Kang, Ghazal Khalighinejad, Sartaaj Khan, Sascha Klawohn, Suneel Kuman, Alvin Noe Ladines, Sarom Leang, Magdalena Lederbauer, Sheng-Lun Mark Liao, Hao Liu, Xuefeng Liu, Stanley Lo, Sandeep Madireddy, Piyush Ranjan Maharana, Shagun Maheshwari, Soroush Mahjoubi, José A. Márquez, Rob Mills, Trupti Mohanty, Bernadette Mohr, Seyed Mohamad Moosavi, Alexander Moßhammer, Amirhossein D. Naghdi, Aakash Naik, Oleksandr Narykov, Hampus Näsström, Xuan Vu Nguyen, Xinyi Ni, Dana O'Connor, Teslim Olayiwola, Federico Ottomano, Aleyna Beste Ozhan, Sebastian Pagel, Chiku Parida, Jaehee Park, Vraj Patel, Elena Patyukova, Martin Hoffmann Petersen, Luis Pinto, José M. Pizarro, Dieter Plessers, Tapashree Pradhan, Utkarsh Pratiush, Charishma Puli, Andrew Qin, Mahyar Rajabi, Francesco Ricci, Elliot Risch, Martiño Ríos-García:
Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry. CoRR abs/2411.15221 (2024) - 2023
- [i3]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) - [i2]Andres M. Bran, Philippe Schwaller:
Transformers and Large Language Models for Chemistry and Drug Discovery. CoRR abs/2310.06083 (2023) - [i1]Victor Sabanza Gil, Andres M. Bran, Malte Franke, Remi Schlama, Jeremy S. Luterbacher, Philippe Schwaller:
Holistic chemical evaluation reveals pitfalls in reaction prediction models. CoRR abs/2312.09004 (2023)
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