Olaf Wiest

Full Professor, Chemistry, University of Notre Dame

Joined

July 2019

Names

Olaf Wiest (Preferred)

Emails

****@nd.edu (Confirmed)

Personal Links

Homepage

Google Scholar

ORCID

Career & Education History

Full Professor

Chemistry, University of Notre Dame (nd.edu)

2001 – Present

Advisors, Relations & Conflicts

Postdoc Advisor

Ken Houk

1993 – 1995

Expertise

Computational Chemistry

1995 – Present

Organic Chemistry

1995 – Present

Publications

MolX: Enhancing Large Language Models for Molecular Understanding With A Multi-Modal Extension
Le Huy Khiem, Zhichun Guo, Kaiwen Dong, Xiaobao Huang, Bozhao Nan, Roshni Iyer, Xiangliang Zhang, Olaf Wiest, Wei Wang, Ting Hua, Nitesh V Chawla
- MLoG-GenAI@KDD Oral
- Readers: Everyone
ChemOrch: Empowering LLMs with Chemical Intelligence via Groundbreaking Synthetic Instructions
Yue Huang, Zhengzhe Jiang, Xiaonan Luo, Kehan Guo, Haomin Zhuang, Yujun Zhou, Zhengqing Yuan, Xiaoqi Sun, Jules Schleinitz, Yanbo Wang, Shuhao Zhang, Mihir Surve, Nitesh V Chawla, Olaf Wiest, Xiangliang Zhang
- NeurIPS 2025 poster
- Readers: Everyone
Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation
Kehan Guo, Bozhao Nan, Yujun Zhou, Taicheng Guo, Zhichun Guo, Mihir Surve, Zhenwen Liang, Nitesh V Chawla, Olaf Wiest, Xiangliang Zhang
- NeurIPS 2024 Track Datasets and Benchmarks Spotlight
- Readers: Everyone
Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks
Yanqiao Zhu, Jeehyun Hwang, Keir Adams, Zhen Liu, Bozhao Nan, Brock Stenfors, Yuanqi Du, Jatin Chauhan, Olaf Wiest, Olexandr Isayev, Connor Coley, Yizhou Sun, Wei Wang
- NeurIPS2023-AI4Science Poster
- Readers: Everyone
Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks
Yanqiao Zhu, Jeehyun Hwang, Keir Adams, Zhen Liu, Bozhao Nan, Brock Stenfors, Yuanqi Du, Jatin Chauhan, Olaf Wiest, Olexandr Isayev, Connor W. Coley, Yizhou Sun, Wei Wang
- ICLR 2024 poster
- Readers: Everyone
Modeling non-uniform uncertainty in Reaction Prediction via Boosting and Dropout
Taicheng Guo, Changsheng Ma, Xiuying Chen, Bozhao Nan, Kehan Guo, Shichao Pei, Lu Yu, Nitesh V Chawla, Olaf Wiest, Xiangliang Zhang
- ICLR 2024 Conference Withdrawn Submission
- Readers: Everyone
What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
Taicheng Guo, Kehan Guo, Bozhao Nan, Zhenwen Liang, Zhichun Guo, Nitesh V Chawla, Olaf Wiest, Xiangliang Zhang
- NeurIPS 2023 Datasets and Benchmarks Poster
- Readers: Everyone

Co-Authors

View all 39 co-authors

Olaf Wiest

Names

Emails

Personal Links

Career & Education History

Advisors, Relations & Conflicts

Expertise

Publications

MolX: Enhancing Large Language Models for Molecular Understanding With A Multi-Modal Extension

ChemOrch: Empowering LLMs with Chemical Intelligence via Groundbreaking Synthetic Instructions

Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation

Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks

Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks

Modeling non-uniform uncertainty in Reaction Prediction via Boosting and Dropout

What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks

Co-Authors