The Jasrasaria Group aims to understand how microscopic interactions between atoms and electrons in materials dictate their macroscopic behaviors. We use theory and simulation to model complex materials with a focus on accurate nuclear dynamics and their interplay with many-body interactions that span multiple length- and energy-scales. Specifically, we develop and employ a variety of tools, such as electronic structure calculations, molecular dynamics simulations, and quantum dynamics techniques, to model optoelectronic, dynamical, and transport phenomena in materials systems under experimentally relevant conditions. Our goal is not only to understand materials properties but also to develop design principles to optimize materials performance for applications ranging from quantum information to energy conversion. To achieve these goals, we work closely with experimental groups that synthesize and characterize novel materials.
Harvard University
Cambridge, MA
A.B. - Chemistry, Statistics
2016
University of Cambridge
Cambridge, England
M.Phil - Scientific Computing
2017
University of California, Berkeley
Berkeley, California
Ph.D - Chemistry
2022
Columbia University
New York, New York
Postdoctoral Researcher
2025
D. Jasrasaria, A. Mandal, D. Reichman, T. C. Berkelbach, “Simulating anharmonic vibrational polaritons beyond the long wavelength approximation,” J. Chem. Phys. 162, 014109 (2025), DOI: 10.1063/5.0235584
D. Jasrasaria, T. C. Berkelbach, “Nonperturbative simulation of anharmonic rattler dynamics in type-I clathrates with vibrational dynamical mean-field theory,” Phys. Rev. B 110, 064312 (2024), DOI: https://doi.org/10.1103/PhysRevB.110.064312
D. Jasrasaria, E. Rabani, “Circumventing the phonon bottleneck by multiphonon-mediated hot exciton cooling at the nanoscale,” npj Comput. Mater. 9, 145 (2023), DOI https://doi.org/10.1038/s41524-023-01102-8
D. Jasrasaria, D. Weinberg, J. P. Philbin, E. Rabani, “Simulations of nonradiative processes in semiconductor nanocrystals,” J. Chem. Phys. 157, 020901 (2022), DOI: 10.1063/5.0095897
D. Jasrasaria, E. Rabani, “Interplay of surface and interior modes in exciton-phonon coupling at the nanoscale,” Nano Lett. 21, 8741 (2021), DOI: 10.1021/acs.nanolett.1c02953
B. Guzelturk*, B. L. Cotts*, D. Jasrasaria*, J. P. Philbin*, D. A. Hanifi, B. A. Koscher, A. D. Balan, E. Curling, M. Zajac, S. Park, N. Yazdani, C. Nyby, V. Kamysbayev, S. Fischer, Z. Nett, X. Shen, M. E. Kozina, M.-F. Lin, A. H. Reid, S. P. Weathersby, R. D. Schaller, V. Wood, X. Wang, J. A. Dionne, D. V. Talapin, A. P. Alivisatos, A. Salleo, E. Rabani, A. M. Lindenberg, “Dynamic lattice distortions driven by surface trapping in semiconductor nanocrystals,” Nat. Commun. 12, 1860 (2021), DOI: 10.1038/s41467-021-22116-0
ACS PHYS Young Investigator Award in Theory
American Chemical Society
2024
ACS COMP Wiley Computers in Chemistry Outstanding Postdoc Award
American Chemical Society
2024
Frederick A. Howes Scholar in Computational Science
Columbia University
2023
ACS COMP Chemical Computing Group Excellence Award for Graduate Students
American Chemical Society
2022
Department of Energy Computational Science Graduate Fellowship
U.S. D.O.E.
2018 - 2022
Herchel Smith Postgraduate Fellowship
Harvard University
2016 - 2017