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 Kowalchyk
  • Dr. Yufeng Wei
Spring 2021 Seminars

February 12, 2021    
     Edge Engineering of Two-Dimensional Materials by Using Multiscale Simulations    
      Dr. Guoxiang (Emma) Hu    
      Queens College - CUNY
      Flyer

March 19, 2021     
     Computaional Design of Novel Antimicrobial Peptides     
     Dr. Chitra Narayanan
     New jersey City University
     Flyer

April 9, 2021      
    Mechanical properties of a few-layer graphene films grown on SiC(0001) substrates
    Dr. Angelo Bongiorno      
    College of Staten Island - CUNY
    Flyer

May 7, 2021
       Can glycans be targeted to stop viral diseases? Insights from molecular dynamics simulations.     
       Dr.  Mateusz Marianski
      Hunter College - CUNY
       Flyer