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Teodoro Laino

NCCR Catalysis

39H指数
211论文数
1.1W被引数
收录论文 64
发表时间
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Fine-tuning large language models to generate single-atom catalyst synthesis procedures微调大型语言模型以生成单原子催化剂合成方案
errCommunications Chemistry
IF6.2
err2026-06-19
err0
errOAAI
errManu Suvarna; Matteo Manica; Fillipo Ficarra; Andres M. Bran; Andrea Ruiz-Ferrando; Magdalena Lederbauer; Philippe Schwaller; Javier Pérez-Ramírez; Teodoro Laino
err分享
err收藏
Amino acid composition drives aggregation during peptide synthesis
errNature Chemistry
IF20.2
err2026-03-01
err1
errOAAI
errTamas, Balint; Alberts, Marvin; Laino, Teodoro; Hartrampf, Nina
err分享
err收藏
Roadmap for transforming heterogeneous catalysis with artificial intelligence用人工智能改造多相催化的路线图
errNature Catalysis
IF44.6
err2026-02-16
err0
PREAI
errHongliang Xin; John R. Kitchin; Núria López; Neil M. Schweitzer; Nongnuch Artrith; Fanglin Che; Lars C. Grabow; G. T. Kasun Kalhara Gunasooriya; Heather J. Kulik; Teodoro Laino; Hao Li; Suljo Linic; Andrew J. Medford; Randall J. Meyer; Jiayu Peng; Cory Phillips; Jin Qian; Long Qi; Wendy J. Shaw; Zachary W. Ulissi; Siwen Wang; Xiaonan Wang
err分享
err收藏
IR-NMR multimodal computational spectra dataset for 177K patent-extracted organic moleculesIR-NMR多模态计算光谱数据集，包含177K个从专利中提取的有机分子
errScientific Data
IF6.9
err2025-08-07
err0
errOAAI
errFederico Zipoli; Marvin Alberts; Teodoro Laino
err分享
err收藏
Setting new benchmarks in AI-driven infrared structure elucidation在AI驱动的红外结构解析中设定新基准
errDigital Discovery
IF5.6
err2025-07-26
err0
errOAAI
errMarvin Alberts; Federico Zipoli; Teodoro Laino
err分享
err收藏
From Spectra to Structure: AI-Powered 31P NMR Interpretation从光谱到结构：AI驱动的³¹P NMR解析
errAnalytical Chemistry
IF6.7
err2025-07-16
err0
errOAAI
errMarvin Alberts; Nina Hartrampf; Teodoro Laino
err分享
err收藏
Leveraging infrared spectroscopy for automated structure elucidation
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2024-11-16
err1
PREAI
errAlberts, Marvin; Laino, Teodoro; Vaucher, Alain C.
err分享
err收藏
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions以量子为中心的材料科学超级计算: 挑战和未来方向
errFUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF ESCIENCE
IF6.1
err2024-11-01
err9
errOAAI
errAlexeev, Yuri; Amsler, Maximilian; Barroca, Marco Antonio; Bassini, Sanzio; Battelle, Torey; Camps, Daan; Casanova, David; Choi, Young Jay; Chong, Frederic T.; Chung, Charles; Codella, Christopher; Corcoles, Antonio D.; Cruise, James; Di Meglio, Alberto; Duran, Ivan; Eckl, Thomas; Economou, Sophia; Eidenbenz, Stephan; Elmegreen, Bruce; Fare, Clyde; Faro, Ismael; Fernandez, Cristina Sanz; Ferreira, Rodrigo Neumann Barros; Fuji, Keisuke; Fuller, Bryce; Gagliardi, Laura; Galli, Giulia; Glick, Jennifer R.; Gobbi, Isacco; Gokhale, Pranav; Gonzalez, Salvador de la Puente; Greiner, Johannes; Gropp, Bill; Grossi, Michele; Gull, Emanuel; Healy, Burns; Hermes, Matthew R.; Huang, Benchen; Humble, Travis S.; Ito, Nobuyasu; Izmaylov, Artur F.; Javadi-Abhari, Ali; Jennewein, Douglas; Jha, Shantenu; Jiang, Liang; Jones, Barbara; de Jong, Wibe Albert; Jurcevic, Petar; Kirby, William; Kister, Stefan; Kitagawa, Masahiro; Klassen, Joel; Klymko, Katherine; Koh, Kwangwon; Kondo, Masaaki; Kurkcuoglu, Doga Murat; Kurowski, Krzysztof; Laino, Teodoro; Landfield, Ryan; Leininger, Matt; Leyton-Ortega, Vicente; Li, Ang; Lin, Meifeng; Liu, Junyu; Lorente, Nicolas; Luckow, Andre; Martiel, Simon; Martin-Fernandez, Francisco; Martonosi, Margaret; Marvinney, Claire; Medina, Arcesio Castaneda; Merten, Dirk; Mezzacapo, Antonio; Michielsen, Kristel; Mitra, Abhishek; Mittal, Tushar; Moon, Kyungsun; Moore, Joel; Mostame, Sarah; Motta, Mario; Na, Young-Hye; Nam, Yunseong; Narang, Prineha; Ohnishi, Yu-ya; Ottaviani, Daniele; Otten, Matthew; Pakin, Scott; Pascuzzi, Vincent R.; Pednault, Edwin; Piontek, Tomasz; Pitera, Jed; Rall, Patrick; Ravi, Gokul Subramanian; Robertson, Niall; Rossi, Matteo A. C.; Rydlichowski, Piotr; Ryu, Hoon; Samsonidze, Georgy; Sato, Mitsuhisa; Saurabh, Nishant; Sharma, Vidushi; Sharma, Kunal; Shin, Soyoung; Slessman, George; Steiner, Mathias; Sitdikov, Iskandar; Suh, In-Saeng; Switzer, Eric D.; Tang, Wei; Thompson, Joel; Todo, Synge; Tran, Minh C.; Trenev, Dimitar; Trott, Christian; Tseng, Huan-Hsin; Tubman, Norm M.; Tureci, Esin; Valinas, David Garcia; Vallecorsa, Sofia; Wever, Christopher; Wojciechowski, Konrad; Wu, Xiaodi; Yoo, Shinjae; Yoshioka, Nobuyuki; Yu, Victor Wen-zhe; Yunoki, Seiji; Zhuk, Sergiy; Zubarev, Dmitry
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err收藏
Completion of partial chemical equations
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-06-19
err1
errOAAI
errZipoli, Federico; Ayadi, Zeineb; Schwaller, Philippe; Laino, Teodoro; Vaucher, Alain C.
err分享
err收藏
Predicting polymerization reactions via transfer learning using chemical language models
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-06-04
err2
errOAAI
errFerrari, Brenda S.; Manica, Matteo; Giro, Ronaldo; Laino, Teodoro; Steiner, Mathias B.
err分享
err收藏
Growing strings in a chemical reaction space for searching retrosynthesis pathways
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-05-10
err1
errOAAI
errZipoli, Federico; Baldassari, Carlo; Manica, Matteo; Born, Jannis; Laino, Teodoro
err分享
err收藏
Balancing computational chemistry's potential with its environmental impact平衡计算化学的潜力与环境影响
errGREEN CHEMISTRY
IF9.2
err2024-01-01
err1
errOAAI
errSchilter, Oliver; Schwaller, Philippe; Laino, Teodoro
err分享
err收藏
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes结合贝叶斯优化和自动化，同时优化反应条件和路线
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err2
errOAAI
errSchilter, Oliver; Gutierrez, Daniel Pacheco; Folkmann, Linnea M.; Castrogiovanni, Alessandro; Garcia-Duran, Alberto; Roch, Loic M.; Zipoli, Federico; Laino, Teodoro
err分享
err收藏
Language models and protocol standardization guidelines for accelerating synthesis planning in heterogeneous catalysis用于加速非均相催化合成计划的语言模型和协议标准化指南
errNATURE COMMUNICATIONS
IF15.7
err2023-12-02
err14
errOAAI
errSuvarna, Manu; Vaucher, Alain Claude; Mitchell, Sharon; Laino, Teodoro; Perez-Ramirez, Javier
err分享
err收藏
Fast Customization of Chemical Language Models to Out-of-Distribution Data Sets
errCHEMISTRY OF MATERIALS
IF7
err2023-10-27
err1
errOAAI
errToniato, Alessandra; Vaucher, Alain C.; Lehmann, Marzena Maria; Luksch, Torsten; Schwaller, Philippe; Stenta, Marco; Laino, Teodoro
err分享
err收藏
Standardizing chemical compounds with language models用语言模型标准化化合物
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-08-08
err1
errOAAI
errCretu, Miruna T.; Toniato, Alessandra; Thakkar, Amol; Debabeche, Amin A.; Laino, Teodoro; Vaucher, Alain C.
err分享
err收藏
Unbiasing Retrosynthesis Language Models with Disconnection Prompts
errACS CENTRAL SCIENCE
IF10.4
err2023-07-05
err10
errOAAI
errThakkar, Amol; Vaucher, Alain C. C.; Byekwaso, Andrea; Schwaller, Philippe; Toniato, Alessandra; Laino, Teodoro
err分享
err收藏
The rise of automated curiosity-driven discoveries in chemistry
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err5
errOAAI
errBustillo, Latimah; Laino, Teodoro; Rodrigues, Tiago
err分享
err收藏
Designing catalysts with deep generative models and computational data. A case study for Suzuki cross coupling reactions用深度生成模型和计算数据设计催化剂。Suzuki交叉偶联反应的案例研究
errDigital Discovery
IF5.6
err2023-01-01
err14
errOAAI
errSchilter, Oliver; Vaucher, Alain; Schwaller, Philippe; Laino, Teodoro
err分享
err收藏
Enhancing diversity in language based models for single-step retrosynthesis
errDIGITAL DISCOVERY
IF5.6
err2023-01-01
err8
errOAAI
errToniato, Alessandra; Vaucher, Alain C.; Schwaller, Philippe; Laino, Teodoro
err分享
err收藏

研究方向

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合作学者
合作期刊
K
Kläus Müllen
H 指数: 186 · 论文数: 2.5K
M
Michele Parrinello
H 指数: 155 · 论文数: 924
S
S. Vallecorsa
H 指数: 138 · 论文数: 1.2K
J
Javier Pérez‐Ramírez
H 指数: 129 · 论文数: 845
L
Laura Gagliardi
H 指数: 97 · 论文数: 1.1K
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