COMP Leadership

Chair (2024)

Secretary (2021-2023)

Social Media Chair

Katrina Lexa, Ph.D.

Stealth NewCo

South San Francisco, CA

Chair-Elect (2024)

Lee Woodcock, Ph.D.

University of South Florida

Tampa, FL

Immediate Past Chair (2024)

Undergraduate Programming Chair (2022-2024)

Ashley Ringer McDonald, Ph.D.

Cal Poly

San Luis Obispo, CA

Secretary (2024-2026)

Yihan Shao, Ph.D.

University of Oklahoma

Norman, OK

Treasurer (2022-2024)

Lewis Whitehead, Ph.D.

1910 Genetics

Cambridge, MA

Assistant Treasurer (2023-2025)

Xuhui Huang, Ph.D.

University of Wisconsin, Madison

Madison, WI

Councilor I (2022-2024)

Christine M. Aikens, Ph.D. 

Kansas State University 

Manhattan, KS

Councilor (2024-2026)

Heidi Klem


Alternate Councilor I (2023-2025)

Guillaume Lamoureux, Ph.D.

Rutgers University, Camden

Camden, NJ

Alternate Councilor III (2022-2024)

Colin Lam, Ph.D.


Kenilworth, NJ

Program Co-Chair (2023-)

Alex Dickson, Ph.D.

Michigan State University

East Lansing, MI

Program Co-Chair (2023-)

Kira Armacost, Ph.D.


Philadelphia, PA


Alternate Councilor (2024-2026)

Hrant Hratchian

UC Merced

Journal of Molecular Graphics & Modelling Editor (COMP Liaison)

Sticker Designer

Emilio Xavier Esposito, Ph.D.

exeResearch LLC

East Lansing, MI

COMP Awards Assoc Coordinator (2024)

Karl. N. Kirschner, Ph.D.

University of Applied Sciences Bonn-Rhein-Sieg

Robert Paton

COMP Awards Coordinator (2023-)

Sticker Designer

Robert Paton, Ph.D.

Colorado State University

Fort Collins, CO


COMP Awards Coordinator (2023-)

Zoe Cournia, Ph.D.

 Biomedical Research Foundation

Academia of Athens

Athens, Greece

Bylaws Chair (2024)

Edward Sherer, Ph.D.


Rahway, NJ

Multidisciplinary Program Planning Group (2024)

Luke E. K. Achenie, Ph.D.

Virginia Tech University

Blacksburg, VA

achenie AT

Newsletter (2024)

Seonah Kim, Ph.D.

Colorado State University

Fort Collins, CO

Minority Affairs

Shanadeen Begay, Ph.D.

Northeastern University

Boston, MA

Social Media Coordinator (2024)

Lauren Raguette

Stony Brook University

Stony Brook, NY


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

Program Co-Chair (2024)

Maria Nagan, Ph.D.

Stony Brook University

Stony Brook, NY

Wendy Cornell, Ph.D.


Yorktown Heights, NY

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

COMP Awards Coordinator (2023)

Adrian Roitberg, Ph.D.

University of Florida

Gainesville, FL

Daniel Ortwine

Ortwine Counsulting LLC

Traverse City, MI

Immediate Past Chair (2022)

Jana Shen, Ph.D.

University of Maryland

Baltimore, MD

Councilor III (2021-2023)

Emilio Gallicchio, Ph.D.

Brooklyn College

Brooklyn, NY

Veerabahu Shanmugasundaram, Ph.D.


Cambridge, MA

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.pdf

COMP By-laws

Our by-laws were voted upon by our COMP membership in August 2022 and ratified by ACS in Octoer 2022.