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 (2024-2026)

Heidi Klem

NIST


Heidi.Klem_AT_nist.gov

Alternate Councilor I (2023-2025)

Guillaume Lamoureux, Ph.D.

Rutgers University, Camden

Camden, NJ

guillaume.lamoureux_AT_rutgers.edu

Alternate Councilor III (2022-2024)

Colin Lam, Ph.D.

Merck

Kenilworth, NJ

yu.hong.lam_AT_merck.com

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

Alternate Councilor (2024-2026)

Hrant Hratchian

UC Merced


Hhratchian_AT_ucmerced.edu

Journal of Molecular Graphics & Modelling Editor (COMP Liaison)

Sticker Designer

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

Robert Paton

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

Multidisciplinary Program Planning Group (2024)

Luke E. K. Achenie, Ph.D.

Virginia Tech University

Blacksburg, VA

achenie AT vt.edu

Newsletter (2024)

Seonah Kim, Ph.D.

Colorado State University

Fort Collins, CO

Seonah.Kim_AT_colostate.edu

Minority Affairs

Shanadeen Begay, Ph.D.

Northeastern University

Boston, MA

shanadeen_AT_gmail.com

Social Media Coordinator (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.pdf

COMP By-laws

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