COMP Leadership
Chair (2024)
Secretary (2021-2023)
Social Media Chair
Katrina Lexa, Ph.D.
Stealth NewCo
South San Francisco, CA
katrina.lexa_AT_gmail.com
Chair-Elect (2024)
Lee Woodcock, Ph.D.
University of South Florida
Tampa, FL
hlw_AT_usf.edu
Immediate Past Chair (2024)
Undergraduate Programming Chair (2022-2024)
Ashley Ringer McDonald, Ph.D.
Cal Poly
San Luis Obispo, CA
armcdona_AT_calpoly.edu
Secretary (2024-2026)
Yihan Shao, Ph.D.
University of Oklahoma
Norman, OK
yihan.shao_AT_ou.edu
Treasurer (2022-2024)
Lewis Whitehead, Ph.D.
1910 Genetics
Cambridge, MA
lewisthejust_AT_gmail.com
Assistant Treasurer (2023-2025)
Xuhui Huang, Ph.D.
University of Wisconsin, Madison
Madison, WI
xhuang_AT_chem.wisc.edu
Councilor I (2022-2024)
Christine M. Aikens, Ph.D.
Kansas State University
Manhattan, KS
cmaikens_AT_ksu.edu
Councilor II (2024-2026)
Heidi Klem
NIST
Heidi.Klem_AT_nist.gov
Councilor III (2024-2025), Alternate Councilor 2026
Hrant Hratchian
UC Merced
Hhratchian_AT_ucmerced.edu
Alternate Councilor I (2022-2024)
Colin Lam, Ph.D.
Merck
Kenilworth, NJ
yu.hong.lam_AT_merck.com
Alternate Councilor II (2023-2025)
Guillaume Lamoureux, Ph.D.
Rutgers University, Camden
Camden, NJ
guillaume.lamoureux_AT_rutgers.edu
Program Co-Chair (2023-)
Alex Dickson, Ph.D.
Michigan State University
East Lansing, MI
alexrdAT_msu.edu
Program Co-Chair (2023-)
Kira Armacost, Ph.D.
GlaxoSmithKline
Philadelphia, PA
kira.x.armacost _AT_gsk.com
Journal of Molecular Graphics & Modelling Editor (COMP Liaison)
Emilio Xavier Esposito, Ph.D.
exeResearch LLC
East Lansing, MI
emilio.esposito_AT_gmail.com
COMP Awards Assoc Coordinator (2024)
Karl. N. Kirschner, Ph.D.
University of Applied Sciences Bonn-Rhein-Sieg
k.n.kirschner_AT_gmail.com
COMP Awards Coordinator (2023-)
Sticker Designer
Robert Paton, Ph.D.
Colorado State University
Fort Collins, CO
robert.paton _AT_colostate.edu
COMP Awards Coordinator (2023-)
Zoe Cournia, Ph.D.
Biomedical Research Foundation
Academia of Athens
Athens, Greece
Bylaws Chair (2024)
Edward Sherer, Ph.D.
Merck
Rahway, NJ
edward_sherer_AT_merck.com
Newsletter (2024)
Seonah Kim, Ph.D.
Colorado State University
Fort Collins, CO
Seonah.Kim_AT_colostate.edu
Social Chair (2024-)
Mia Rosenfeld
Iambic Therapeutics
San Diego, CA
mia.rosenfeld_AT_gmail.com
Social Media Coordinator (2022-2024)
Lauren Raguette
Stony Brook University
Stony Brook, NY
Lauren.Raguette_AT_
stonybrook.edu
COMP Members-at-Large
Members-at-Large are former COMP Executive Committee members that continued to champion the COMP division and are still active in either the COMP division or the ACS.
COMP Awards Coordinator (2023)
Carlos Simmerling, Ph.D.
Stony Brook University
Stony Brook, NY
carlos.simmerling_AT_stonybrook.edu
Program Co-Chair (2024)
Maria Nagan, Ph.D.
Stony Brook University
Stony Brook, NY
maria.nagan_AT_stonybrook.edu
Wendy Cornell, Ph.D.
IBM
Yorktown Heights, NY
cornell_AT_us.ibm.com
Wendy is an active member of the Committee on Chemical Abstract Services (CCAS) where she was CCAS' chair for three years (term-limit).
Media & Member Relations (2023)
Y. Jane Tseng, Ph.D.
National Taiwan University
Taipei, Taiwan
yjtseng_AT_csie.ntu.edu.tw
COMP Awards Coordinator (2023)
Adrian Roitberg, Ph.D.
University of Florida
Gainesville, FL
roitberg_AT_qtp.ufl.edu
Daniel Ortwine
Ortwine Counsulting LLC
Traverse City, MI
dan.ortwine_AT_gmail.com
Immediate Past Chair (2022)
Jana Shen, Ph.D.
University of Maryland
Baltimore, MD
Jana.Shen_AT_rx.umaryland.edu
Councilor III (2021-2023)
Emilio Gallicchio, Ph.D.
Brooklyn College
Brooklyn, NY
egallicchio_AT_brooklyn.cuny.edu
Veerabahu Shanmugasundaram, Ph.D.
Celgene
Cambridge, MA
veerabahu.shanmugasundaram_AT_gmail.com
Veer was COMP's Secretary for several years and is active in leading Boston Area Group for Informatics and Modeling (BAGIM).
COMP bylaws--101422-cert.pdfCOMP By-laws
Our by-laws were voted upon by our COMP membership in August 2022 and ratified by ACS in Octoer 2022.