I am currently a senior scientist at Schrödinger
working in the force fields team to improve performance on metalloproteins, especially for free energy perturbation theory in the context of structure
aided drug design. I am a part of the Life Science Software division.
I was previously a NIH Postdoctoral Research Fellow in Richard Friesner's group in the
Chemistry Department at Columbia University
using auxiliary field quantum Monte Carlo, complemented by density functional theory
and coupled cluster theory to study model systems relevant to biology and materials science.
I am interested in traditional computational drug discovery methods and tools, particularly force fields,
molecular dynamics, and both ligand and structure based drug design.
In January 2020, I completed the online Introduction to Molecular Modeling
in Drug Discovery course provided by Schrödinger.
In November 2020, I completed the course "Introduction to Molecular Modeling Concepts
for Polymers" provided by Schrödinger.
In May 2021, I completed the High-Throughput Virtual Screening for Hit Finding
and Evaluation course provided by Schrödinger.
In November 2021, I completed the Machine Learning Coursera course taught by Andrew Ng from Stanford.
In December 2021, I completed the Introduction to Computational Antibody Engineering course provided by Schrödinger.
In November 2022, I completed the Free Energy Calculations for Drug Design with FEP+ course provided by Schrödinger.
I hold a B.S. degree in chemistry from Macaulay Honors College program at Brooklyn College/CUNY (2013),
where I did research with
Alexander Greer and a Ph.D. in computational/physical chemistry from Yale University (2018),
which I received in the group of
Victor Batista.
Research Interests:
- Metalloproteins
- Force Fields
- Computational chemistry
- Physical organic chemistry
- Drug discovery
- Solar fuels
- Vibrational spectroscopy
- Catalysis
- Auxiliary Field Quantum Monte Carlo
As a senior scientist at Schrödinger, I presented posters and/or PowerPoint presentations at:
- January 2024 Gordon Research Conference in Metals in Biology
As a postdoctoral research scientist/fellow, I presented posters and/or PowerPoint presentations at:
- July 2021 International Workshop on Recent Developments in Electronic Structure
- July 2021 Stochastic Methods in Electronic Structure Theory Workshop
- July 2020 Virtual Conference on Theoretical Chemistry
- November 2019 Flatiron Institutes's Center for Computational Quantum Physics Quantum Monte Carlo Group Meeting
- October 2019 Columbia University's Physical Chemistry Student Invited Seminar Series
- October 2019 Yale University's Physical Chemistry Student Invited Seminar Series
- October 2019 Columbia University Postdoctoral Research Symposium
- September 2019 Alexander Greer 20th Anniversary Symposium at Brooklyn College
- April 2019 New York Area Group for Informatics and Modeling (NYAGIM)-Mid-Atlantic Computational Chemistry (MACC) Symposium
- March 2019 Columbia University's Physical Chemistry Student Invited Seminar Series
- February 2019 Sanibel Symposium in St. Simon's Island in Georgia
- December 2018 Columbia University Postdoctoral Research Symposium
- September 2018 Columbia University's Physical Chemistry Student Invited Seminar Series
As a graduate student, I presented posters and/or PowerPoint presentations at:
- July 2017 International Solar Fuels Conference
- July 2017 American Conference of Theoretical Chemistry the 2017 DOE PI EFRC Meeting
- 2016 AFOSR MURI Annual Review Meeting at UC San Diego
- July 2016 Vibrational Spectroscopy Gordon Research Conference (invited speaker for Gordon Research Seminar)
- June 2016 Excited State Processes Conference
- April 2016 Connecticut Valley Quantum Chemistry meeting
- March 2016 ACS meeting in San Diego, April 2017 ACS meeting in San Francisco
- Yale Chemistry Symposia, Yale Energy Sciences Research in Progress Talks, and the weekly Yale Chemistry Solar Energy Collaboration meeting.
As an undergraduate student, I presented posters and/or PowerPoint presentations at:
- Brooklyn College Science Day (2011, 2012, and 2013)
- NYACS Undergraduate Research Symposia (2011, 2012, and 2013)
- Roald Hoffmann 75th birthday symposium (2012)
- August 2012 ACS meeting in Philadelphia.
- Marie Curie Nobel Centennial Symposium (2011)
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