K. J. Schmidt

Argonne National Laboratory

H指数:7

被引数:364

个人简介

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Keeping Artificial Intelligence for Microscopy FAIR: Findable, Accessible, Interoperable, and Reproducible

Microscopy and Microanalysis

IF3

2025-07-250

Assessment of fine-tuned large language models for real-world chemistry and material science applications

评估用于现实世界化学和材料科学应用的微调大型语言模型

CHEMICAL SCIENCE

IF7.4

2025-01-011

OAAI

Van Herck, Joren; Gil, Maria Victoria; Jablonka, Kevin Maik; Abrudan, Alex; Anker, Andy S.; Asgari, Mehrdad; Blaiszik, Ben; Buffo, Antonio; Choudhury, Leander; Corminboeuf, Clemence; Daglar, Hilal; Elahi, Amir Mohammad; Foster, Ian T.; Garcia, Susana; Garvin, Matthew; Godin, Guillaume; Good, Lydia L.; Gu, Jianan; Xiao Hu, Noemie; Jin, Xin; Junkers, Tanja; Keskin, Seda; Knowles, Tuomas P. J.; Laplaza, Ruben; Lessona, Michele; Majumdar, Sauradeep; Mashhadimoslem, Hossein; Mcintosh, Ruaraidh D.; Moosavi, Seyed Mohamad; Mourino, Beatriz; Nerli, Francesca; Pevida, Covadonga; Poudineh, Neda; Rajabi-Kochi, Mahyar; Saar, Kadi L.; Hooriabad Saboor, Fahimeh; Sagharichiha, Morteza; Schmidt, K. J.; Shi, Jiale; Simone, Elena; Svatunek, Dennis; Taddei, Marco; Tetko, Igor; Tolnai, Domonkos; Vahdatifar, Sahar; Whitmer, Jonathan; Wieland, D. C. Florian; Willumeit-Roemer, Regine; Zuttel, Andreas; Smit, Berend

Machine learning materials properties with accurate predictions, uncertainty estimates, domain guidance, and persistent online accessibility

具有准确预测、不确定性估计、领域指导和持续在线可访问性的机器学习材料属性

MACHINE LEARNING-SCIENCE AND TECHNOLOGY

IF4.6

2024-12-021

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon

Digital Discovery

IF5.6

2023-01-0155

OAAI

Jablonka, Kevin Maik; Ai, Qianxiang; Al-Feghali, Alexander; Badhwar, Shruti; Bocarsly, Joshua D.; Bran, Andres M.; Bringuier, Stefan; Brinson, L. Catherine; Choudhary, Kamal; Circi, Defne; Cox, Sam; de Jong, Wibe A.; Evans, Matthew L.; Gastellu, Nicolas; Genzling, Jerome; Gil, Maria Victoria; Gupta, Ankur K.; Hong, Zhi; Imran, Alishba; Kruschwitz, Sabine; Labarre, Anne; Lala, Jakub; Liu, Tao; Ma, Steven; Majumdar, Sauradeep; Merz, Garrett W.; Moitessier, Nicolas; Moubarak, Elias; Mourino, Beatriz; Pelkie, Brenden; Pieler, Michael; Ramos, Mayk Caldas; Rankovic, Bojana; Rodriques, Samuel G.; Sanders, Jacob N.; Schwaller, Philippe; Schwarting, Marcus; Shi, Jiale; Smit, Berend; Smith, Ben E.; Van Herck, Joren; Voelker, Christoph; Ward, Logan; Warren, Sean; Weiser, Benjamin; Zhang, Sylvester; Zhang, Xiaoqi; Zia, Ghezal Ahmad; Scourtas, Aristana; Schmidt, K. J.; Foster, Ian; White, Andrew D.; Blaiszik, Ben

FAIR principles for AI models with a practical application for accelerated high energy diffraction microscopy

Scientific Data

IF6.9

2022-11-100

OAAI

In silico active learning for small molecule properties

MOLECULAR SYSTEMS DESIGN & ENGINEERING

IF3.2

2022-01-018

PRE

Graph network based deep learning of bandgaps

JOURNAL OF CHEMICAL PHYSICS