Division of Computers in Chemistry: Call for Abstracts

Submission Deadline: Monday, March 30 2026

Program Chair(s): Alex Dickson, Kira Campbell, Henry Woodcock

Note: Submission deadlines are at 11:59 EST on the day posted. Symposia, organizers and deadlines are subject to change. Last updated October 17, 2026.

Title	Type	Submission Type	Organizer	Cosponsor	Description
AI Meets Chemistry: The Future of Molecular Recognition and Drug Design (Invited)	Oral	Invited	James Arnold Chia-En Chang Ray Luo Xiaoqin Zou		Molecular recognition underpins virtually all biological processes and is a central focus of therape... Read more
Computational Chemistry in Industry Advancing Manufacturing	Oral	Contributed	Suzanne Neidhart		The power of simulations to enhance understanding of the manufacturing process and the materials und... Read more
Deep Learning Models for Co-folding Versus the Physics of Protein-ligand Interactions (i.e. Boltz-2 vs. FEP) (Invited)	Oral	Invited	Rachelle Bienstock Kira Campbell		Protein Co-folding predictive models have now become popular. How good are they at actually predict... Read more
Drug Design	Oral	Contributed	Kira Campbell
Generative AI for Quantum Chemistry	Oral	Contributed	Thorsten Gressling		This symposium explores how generative AI and large language models (LLMs) are transforming quantum ... Read more
Machine Learning in Chemistry	Oral	Contributed	Alex Dickson Dan Seith Omar Valsson
Machine Learning Meets Electronic Structure Theory	Oral	Contributed	Yeongsu Cho Fang Liu		This symposium brings together world-leading experts in quantum chemistry, condensed matter theory, ... Read more
Material Science	Oral	Contributed
May Force Fields Be with You: Symposium Honoring the Far, Far Reaching Impact of Adrian E. Roitberg (Invited)	Oral	Invited	Olexandr Isayev Seonah Kim Daniel Sindhikara		During a career spanning three decades, Prof. Adrian Roitberg has repeatedly advanced the frontiers ... Read more
Molecular Data Representation for ML/AI Studies - (How to Retain Conformation and Stereochemistry Information)	Oral	Contributed	Rachelle Bienstock	MEDI: Division of Medicinal Chemistry	One of the biggest challenges in developing machine learning models is the 3D molecular representati... Read more
Molecular Mechanics	Oral	Contributed	James Gumbart Alberto Perez
OpenEye Cadence Molecular Sciences Outstanding Junior Faculty Award	Oral	Contributed	Zoe Cournia Robert Paton
Quantum Mechanics	Oral	Contributed	Yihan Shao
Treatment of Electrostatics and Polarization in the Simulation of Materials, Biomolecules and Interfaces	Oral	Contributed	Qiang Cui Wanlu Li Jesse McDaniel		It is widely recognized that the long range nature of electrostatic forces warrants careful attentio... Read more
CCG Poster Session	Poster	Contributed	Henry Woodcock
COMP Poster Session	Poster	Contributed	Henry Woodcock
Nvidia GPU Award	Poster	Contributed	Henry Woodcock
OpenEye Cadence Molecular Sciences Outstanding Junior Faculty Award	Poster	Contributed	Zoe Cournia Robert Paton
Wiley Poster Session	Poster	Contributed	Henry Woodcock
Global Virtual Symposium: Computational Tools for Peptide Materials	Oral	Contributed	Krishna Chaturvedi Neha Jha Daniela Kalafatovic Ewa Lis Ivan Sasselli		Recent computational advances have greatly improved the study, prediction, and design of molecular m... Read more

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