Austin Henry Cheng

Intern, NVResearch, NVIDIA

PhD student, Chemistry, University of Toronto

Joined

September 2022

Names

Austin Henry Cheng (Preferred)

Emails

****@mail.utoronto.ca (Confirmed)

,

****@cs.toronto.edu (Confirmed)

,

****@nvidia.com (Confirmed)

Personal Links

Career & Education History

Intern

NVResearch, NVIDIA (nvidia.com)

2026 – 2026

PhD student

Chemistry, University of Toronto (utoronto.ca)

2021 – 2026

Undergrad student

Chemistry, University of Virginia, Charlottesville (virginia.edu)

2017 – 2021

Advisors, Relations & Conflicts

PhD Advisor

Alan Aspuru-Guzik

2021 – 2026

Expertise

3D molecular generative models

Present

autoregressive diffusion

Present

Publications

Scalable Autoregressive 3D Molecule Generation
Austin Henry Cheng, Chong Sun, Alan Aspuru-Guzik
- Submitted to ICLR 2026
- Readers: Everyone
Stiefel Flow Matching for Moment-Constrained Structure Elucidation
Austin Henry Cheng, Alston Lo, Kin Long Kelvin Lee, Santiago Miret, Alan Aspuru-Guzik
- ICLR 2025 Poster
- Readers: Everyone
Reflection-Equivariant Diffusion for 3D Structure Determination from Isotopologue Rotational Spectra in Natural Abundance
Austin Henry Cheng, Alston Lo, Santiago Miret, Brooks Pate, Alan Aspuru-Guzik
- AI4Mat-2023 Spotlight
- Readers: Everyone
Group SELFIES: A Robust Fragment-Based Molecular String Representation
Austin Henry Cheng, Andy Cai, Santiago Miret, Gustavo Malkomes, Mariano Phielipp, Alan Aspuru-Guzik
- Published: 22 Nov 2022, Last Modified: 08 Feb 2026
- AI4Mat 2022 Poster
- Readers: Everyone

Co-Authors