Santiago Vargas

  • Program Year: 3
  • Academic Institution: University of California, Los Angeles
  • Field of Study: Theoretical and Computational Chemistry
  • Academic Advisor: Anastassia Alexandrova
  • Practicum(s): Practicum Not Yet Completed
  • Degree(s):
    B.A. Chemistry and Physics, Harvard College, 2019


Zito, A. M., Bím, D., Vargas, S., Alexandrova, A. N., & Yang, J. Y. (2022). Computational and Experimental Design of Quinones for Electrochemical CO2 Capture and Concentration. In ACS Sustainable Chemistry & Engineering (Vol. 10, Issue 34, pp. 11387–11395). American Chemical Society (ACS).

An Artificial Intelligence Framework for Optimal Drug Design
Grace Ramey, Santiago Vargas, Dinesh De Alwis, Anastassia N. Alexandrova, Joe Distefano III, Peter Bloomingdale
bioRxiv 2022.10.29.514379; doi:

S.Vargas, M. Hannefarth, A.N. Alexandrova. Adapting Quantum Electric Density Descriptors to Predict Diels-Alder Reaction Barriers via Machine Learning.
Machine Learning to Predict Diels–Alder Reaction Barriers from the Reactant State Electron Density. Journal of Chemical Theory and Computation 2021 17 (10), 6203-6213
DOI: 10.1021/acs.jctc.1c00623

S. Vargas, S. Zamirpour, S. Menon, A. Rothman, S. Sim, T. Menke, and A. Aspuru-Guzik. Team-based Learning for Scientific Computing and Automated Experimentation: Visualization of Colored Reactions. (2019). Journal of Chemical Education

Seasonal changes in diet and toxicity in the Climbing Mantella frog (Mantella laevigata). Moskowitz, N. A.; Roland, A. B.; Fischer, E. K.; Ranaivorazo, N.; Vidoudez, C.; Aguilar, M. T.; Caldera, S. M.; Chea, J.; Cristus, M. G.; Crowdis, J. P.; Demessie, B.; Desjardins-Park, C. R.; Effenberger, A. H.; Flores, F.; Giles, M.; He, E. Y.; Izmaylov, N. S.; Lee, C. C.; Pagel, N. A.; Phu, K. K.; Rosen, L. U.; Seda, D. A.; Shen, Y.; Vargas, S.; Murray, A. W.; Abebe, E.; Trauger, S. A.; Donoso, D. A.; Vences, M.; Oconnell, L. A. 2018.

Harvard-MIT Health Science and Technology Summer Institute - Best Poster Award: Machine Learning Applied to Low Resolution Cancer Image Classification


Fulbright Research Fellowship
Cum Laude in Chemistry and Physics
Harvard College Research Program Fellowship
UCLA Competitive Edge Fellowship