Samuel M Blau

Principal Researcher, Lawrence Berkeley National Lab

Joined

September 2023

Names

Samuel M Blau (Preferred)

Emails

****@lbl.gov (Confirmed)

Personal Links

Google Scholar

Career & Education History

Principal Researcher

Lawrence Berkeley National Lab (lbl.gov)

2020 – Present

Advisors, Relations & Conflicts

No relations added

Expertise

No areas of expertise listed

Publications

Zatom-1: A Multimodal Flow Foundation Model for 3D Molecules and Materials
Alex Morehead, Miruna Cretu, Antonia Panescu, Rishabh Anand, Maurice Weiler, Ty Perez, Samuel M Blau, Steven Farrell, Wahid Bhimji, Anubhav Jain, Hrushikesh Sahasrabuddhe, Pietro Lio, Tommi Jaakkola, Rafael Gomez-Bombarelli, Rex Ying, N. Benjamin Erichson, Michael W. Mahoney
- ICLR 2026 Workshop FM4Science Poster
- Readers: Everyone
Learning Inter-Atomic Potentials without Explicit Equivariance
Ahmed A. A. Elhag, Arun Raja, Alex Morehead, Samuel M Blau, Garrett M Morris, Michael M. Bronstein
- SIMBIOCHEM 2025
- Readers: Everyone
From Evaluation to Design: Using Potential Energy Surface Smoothness Metrics to Guide MLIP Architectures
Ryan Liu, Eric Qu, Tobias Kreiman, Samuel M Blau, Aditi S. Krishnapriyan
- Submitted to ICLR 2026
- Readers: Everyone
Learning Inter-Atomic Potentials without Explicit Equivariance
Ahmed A. A. Elhag, Arun Raja, Alex Morehead, Samuel M Blau, Garrett M Morris, Michael M. Bronstein
- ICLR 2026 Conference Withdrawn Submission
- Readers: Everyone
MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform
Yuan Chiang, Tobias Kreiman, Christine Zhang, Matthew C. Kuner, Elizabeth Jin Weaver, Ishan Amin, Hyunsoo Park, Yunsung Lim, Jihan Kim, Daryl Chrzan, Aron Walsh, Samuel M Blau, Mark Asta, Aditi S. Krishnapriyan
- NeurIPS 2025 Datasets and Benchmarks Track spotlight
- Readers: Everyone
MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials through an Open and Accessible Benchmark Platform
Yuan Chiang, Tobias Kreiman, Elizabeth Weaver, Ishan Amin, Matthew Kuner, Christine Zhang, Aaron Kaplan, Daryl Chrzan, Samuel M Blau, Aditi S. Krishnapriyan, Mark Asta
- AI4MAT-ICLR-2025 Spotlight
- Readers: Everyone
HEPOM: A predictive framework for accelerated Hydrolysis Energy Predictions of Organic Molecules
Rishabh Debraj Guha, Santiago Vargas, Evan Walter Clark Spotte-Smith, Alex R Epstein, Maxwell Christopher Venetos, Mingjian Wen, Ryan Kingsbury, Samuel M Blau, Kristin Persson
- AI4Mat-2023 Poster
- Readers: Everyone

Co-Authors

View all 46 co-authors

Samuel M Blau

Names

Emails

Personal Links

Career & Education History

Advisors, Relations & Conflicts

Expertise

Publications

Zatom-1: A Multimodal Flow Foundation Model for 3D Molecules and Materials

Learning Inter-Atomic Potentials without Explicit Equivariance

From Evaluation to Design: Using Potential Energy Surface Smoothness Metrics to Guide MLIP Architectures

Learning Inter-Atomic Potentials without Explicit Equivariance

MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform

MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials through an Open and Accessible Benchmark Platform

HEPOM: A predictive framework for accelerated Hydrolysis Energy Predictions of Organic Molecules

Co-Authors