05/11/2023
By Kwok Fan Chow

The Kennedy College of Science, Department of Chemistry, invites you to attend a Ph.D. Research Proposal defense by Wentong Zhou entitled “Electronic Structure Analysis And Molecular Dynamics Simulations Of Carbon-based Materials.”

Degree: Doctoral
Location: Olney Hall, Room 518 or via Zoom https://uml.zoom.us/j/99375282665
Date: Thursday, May 25, 2023
Time: 10 a.m.

Committee Chair:
Prof. Lawrence M. Wolf, Department of Chemistry, University of Massachusetts Lowell

Committee Members:

  • Prof. Long Y. Chiang, Department of Chemistry, University of Massachusetts Lowell
  • Prof. Olof Ramstrom, Department of Chemistry, University of Massachusetts Lowell
  • Prof. Jerome Delhommelle, Department of Chemistry, University of Massachusetts Lowell
  • Prof. Marina Ruths, Department of Chemistry, University of Massachusetts Lowell

Abstract:
We plan to develop fast and robust computational workflows to analyze some carbon materials or catalysts’ electronic structures and reactivities. Various computational techniques, including electronic structure calculation, molecular dynamic simulation, and wavefunction analysis techniques, machine learning algorithms, will be implemented to provide theoretical insights into explaining some experimental data of different materials and predicting the properties of new potential designs.

All interested students and faculty members are invited to attend.