Computers in Chemistry Topical Group
The Computers in Chemistry Topical Group seeks to advance the efficacy of computers in chemistry.   This topical group is a diverse group of scientists with interests in artificial intelligence, virtual reality, data science, drug development and computational chemistry and biophysics.   Our purpose is to bring together diverse institutions and communities, industrial and academic researchers to share exciting new findings and trends.

Inquiries should be addressed to the topical group Co-Chairs:
  • Dr. Yolanda Small
  • Dr. Marta Kowalczyk
  • Dr. Yufeng Wei
Spring 2023 Seminars

May 5, 2023
     Predicting Optical Properties of Molecules in Complex Environments
     Prof. Tim Zuehlsdorff
     Oregon State University
     Flyer

April 28, 2023
     From Closed to Open: Omicron Mutations Increase Interdomain Interactions and Reduce Epitope Exposure
     Dr. Phu Tang
     Flatiron Institute
     Flyer

March 31, 2023
      Harnessing the Power of AI/ML in Molecular Design and Discovery
      Dr. Neeraj Kumar
      Pacific Northwest National Laboratories
      Flyer