XtalPi AI for Science Fellowships – MIT Department of Chemistry

The XtalPi AI for Science Fellowships are the manifestation of a gift from XtalPi, a biotechnology company founded by former MIT postdoctoral researchers, to the MIT Departments of Chemistry and Chemical Engineering.

XtalPi (pronounced “Ex-tal Pi”) AI for Science Fellowships are designed to fund students and postdocs working at the intersection of Chemistry/Chemical Engineering and machine learning, artificial intelligence, and automation. Projects related to small molecule discovery and chemical synthesis are especially encouraged.

The XtalPi AI for Science Fellowship program supports 4-5 graduate fellows per year. Awardees will receive a fellowship for one year that covers graduate student tuition, benefits, and stipend. XtalPi AI for Science Fellowships will begin on September 1 of the Academic Year.

About the Program

Candidates for the XtalPi AI for Science Fellowship are:

Currently enrolled as a graduate student in Chemistry or Chemical Engineering
Have completed at least one year of graduate study by September 1, 2025
Not otherwise supported by a fellowship
Preferred: Established track record of working at the intersection of Chemistry or Chemical Engineering with Machine Learning, Artificial Intelligence, or Automation

XtalPi AI for Science Fellows will be expected to participate in a poster session at the conclusion of the fellowship year. Applications for the 2026-2027 Academic Year will open in Spring 2026.

Steering Committee

Connor W. Coley, Co-Director
Class of 1957 Career Development Professor; Associate Professor of Chemical Engineering, Electrical Engineering and Computer Science

Masha Elkin, Co-Director
D. Reid (1941) and Barbara J. Weedon Career Development Assistant Professor of Chemistry

Heather J. Kulik
Lammot du Pont Professor of Chemical Engineering and Chemistry

Jeremiah A. Johnson
A. Thomas Guertin Professor of Chemistry

Current XtalPi AI for Science Fellows

Peter Miedaner smiles in an urban setting. — Peter Miedaner

Peter Miedaner, 2025–2026 XtalPi AI for Science Fellow
“Bridging Machine Learning and Nonlinear Optics with Equivariant Neutral Networks”

Anh Nguyen smiles in an outdoor urban setting. — Anh Nguyen

Anh Nguyen, 2025–2026 XtalPi AI for Science Fellow
“Computational Elucidation of Abiotic Activity in Metalloenzymes”

Jihye Roh smiles against a blank white background. — Jihye Roh

Jihye Roh 2025–2026 XtalPi AI for Science Fellow
“Hierarchical Framework for Computer-Aided Retrosynthesis”

Nate Somers smiles in front of a dark background. — Nate Somers

Nate Somers, 2025–2026 XtalPi AI for Science Fellow
“Engineering Conformational Ensembles to Control Molecular Properties”