Allegro-FM: Toward an Equivariant Foundation Model for Exascale Molecular Dynamics Simulations
Published in The Journal of Physical Chemistry Letters, 2025
Recent Publications
You can also find my articles on my Google Scholar profile.
Journal Articles
Catalysis in Extreme Field Environments: A Case Study of Strongly Ionized SiO2 Nanoparticle Surfaces
Published in Journal of the American Chemical Society, 2024
Thermoelectric Grain Boundary in Monolayer MoS2
Published in The Journal of Physical Chemistry C, 2024
Potential Ozone Depletion From Satellite Demise During Atmospheric Reentry in the Era of Mega‐Constellations
Published in Geophysical Research Letters, 2024
Molecular Autonomous Pathfinder Using Deep Reinforcement Learning
Published in The Journal of Physical Chemistry Letters, 2024
Conference Papers
Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization
Published in International Conference on High Performance Computing, 2023
CyberMAGICS: Cyber Training on Materials Genome Innovation for Computational Software for Future Engineers
Published in American Society for Engineering Education Conference, 2023