Sharma Lab


Computational Chemistry at Wagner College

Research Summary

Our group utilizes molecular dynamics simulations to study the partitioning on ions in aqueous reverse micelles. These reverse micelles serve as proxies for atmospheric aerosols. We collaborate with Dr. Joshua Patterson at Christopher Newport University on this project.

Our research interests also include investigation of micro-hydrated ion clusters and the arrangement of water molecules around these anions. Recently, our group has developed an interest in applications of machine learning to the sciences. Additionally, we work hard to incorporate computing at all levels of our teaching and introduce students to computational thinking and programming using the Wolfram language.

News & Highlights

2020-2021

Max has joined our group and is performing summer research on the reverse micelle project. Victor presented his research on polarizability of pyruvate anion at the national ACS meeting with Dr. Sharma. Christeen, Emil, and Lennox presented their work on machine learning for laboratory glassware at the National Conference on Undergraduate Research. Victor graduated with high honors and will be joining Cornell University for a PhD in Chemical Engineering.

2019-2020

Our group has received funding from the ACS Petroleum Research Fund to pursue research in this exciting domain!

Michelle & Vinh are pursuing their M.S. in Materials Science at Stevens Institute of Technology. Best wishes to them.

Michelle, Vinh, Victor, & Caecilia presented their research posters at the Middle Atlantic Regional Meeting.

2018-2019

Dr. Sharma was invited to present our research at California Polytechnic State University.

Dr. Sharma was honored with a Distinguished Award for Research

Caecilia has joined our group! We expect great accomplishments from her!

We added a new computer to our research laboratory. The new system is called Curie in honor of Madam Curie!

Our group members have been selected for multiple presentations at the National ACS Meeting in New Orleans! Way to go: Lucky, Gent, and Ermin!


2017-2018

Our group has published its paper on the interaction between amyloid-beta and human cystatin C protein in the Journal of Theoretical and Computational Chemistry.

Dr. Sharma presented our research projects at Haverford College.

Dr. Sharma has been selected as a Member of Royal Society of Chemistry.

Dr. Sharma presented "Scientific Computing to enrich the freshman Chemistry curriculum" at the National ACS meeting in Washington D.C.

Our research group won a National Science Foundation grant with Dr. Patterson's group at CNU. Kudos to the hard work by Tyler and Gent!

Vinh Phuong’ 20 and Michelle Hernandez’ 20 have joined our research group! We expect great achievements from them.

2016-2017

Joseph will be joining Pennsylvania State University for his Ph.D in Chemistry! Best wishes to Joe!

2015-2016

Tyler and Joseph presented their research at the National Conference on Undergraduate Research in Asheville, NC. We all had a blast!

2014-2015

Joseph Persichetti has joined our resarch group. He is our first group member at Wagner College! We expect great things from Joe.