Alumni

Jeremiah DeGreeff is an undergraduate student in the Department of Electrical Engineering and Computer Science at MIT. He is doing undergraduate research in the Computer Science and Artificial Intelligence Laboratory under Alan Edelman. As part of CESMIX, he is working on a composable suite of Julia packages to support various molecular simulation workflows.

Drew Rohskopf is a PhD student under Asegun Henry at MIT. His research interests involve predicting how molecules move and interact, and how these interactions influence chemical, material, or biological phenomena. His PhD thesis involved (1) improving the speed & accuracy of molecular simulations by producing quantum-accurate potential energy surfaces, and (2) a formalism for simulating vibrational energy transfer in solids, leading to a new physical picture of phonon transport. In the CESMIX project he develops interatomic potentials to aid more accurate molecular simulations, and is also involved in developing software for next-generation molecular simulation platforms.

Mathew Swisher is a postdoctoral associate in the Department of Mechanical Engineering at MIT. His research focuses on using statistical mechanics and molecular dynamics to model material properties and interfacial phenomena. As part of CESMIX, he performs research on molecular modeling of oxygen adsorption and diffusion processes.

Dallas Foster is a postdoctoral associate in the MIT Department of Aeronautics and Astronautics, as a member of the Uncertainty Quantification group within the Aerospace Computational Design Laboratory. Dallas’ research focuses on Bayesian inference techniques for data-driven physical models with additional research interests in data assimilation, scientific computing, and machine learning with applications to climate, geophysics, and chemistry. As part of the CESMIX project, he is developing Uncertainty Quantification techniques that couple probabilistic inference through quantum and molecular scales.

Isuru Ariyarathna is a postdoctoral associate in the Kulik Group at MIT, having completed his PhD at Auburn University with Prof. Evangelos Miliordos. His dissertation focused on high-level ab initio calculations of molecules to understand their chemical and physical properties. As part of the CESMIX project his investigations are focused on multireference wave function theory and density functional theory.

Jayanth Jagalur-Mohan is a research scientist in the Department of Aeronautics and Astronautics at MIT, and is affiliated with the Uncertainty Quantification Group. His research is broadly in the areas of Bayesian methods, statistical inference, machine learning, and experimental design. His work focuses on developing novel algorithms motivated by a variety of complex physical systems, and he is also interested in studying the theoretical limits of such computational methodologies. Within the CESMIX project, his efforts are focused on various aspects related to Uncertainty Quantification and active learning thrust.