|
Title
|
Type
|
Submission Type |
Organizer |
Cosponsor |
Description |
| AI Meets Chemistry: The Future of Molecular Recognition and Drug Design (Invited) |
Oral |
Invited |
|
|
Molecular recognition underpins virtually all biological processes and is a central focus of therape...
|
| Computational Chemistry in Industry Advancing Manufacturing |
Oral |
Contributed |
|
|
The power of simulations to enhance understanding of the manufacturing process and the materials und...
|
| Deep Learning Models for Co-folding Versus the Physics of Protein-ligand Interactions (i.e. Boltz-2 vs. FEP) (Invited) |
Oral |
Invited |
|
|
Protein Co-folding predictive models have now become popular. How good are they at actually predict...
|
| Drug Design |
Oral |
Contributed |
|
|
|
| Generative AI for Quantum Chemistry |
Oral |
Contributed |
|
|
This symposium explores how generative AI and large language models (LLMs) are transforming quantum ...
|
| Machine Learning in Chemistry |
Oral |
Contributed |
|
|
|
| Machine Learning Meets Electronic Structure Theory |
Oral |
Contributed |
|
|
This symposium brings together world-leading experts in quantum chemistry, condensed matter theory, ...
|
| Material Science |
Oral |
Contributed |
|
|
|
| May Force Fields Be with You: Symposium Honoring the Far, Far Reaching Impact of Adrian E. Roitberg (Invited) |
Oral |
Invited |
|
|
During a career spanning three decades, Prof. Adrian Roitberg has repeatedly advanced the frontiers ...
|
| Molecular Data Representation for ML/AI Studies - (How to Retain Conformation and Stereochemistry Information) |
Oral |
Contributed |
|
- MEDI: Division of Medicinal Chemistry
|
One of the biggest challenges in developing machine learning models is the 3D molecular representati...
|
| Molecular Mechanics |
Oral |
Contributed |
|
|
|
| OpenEye Cadence Molecular Sciences Outstanding Junior Faculty Award |
Oral |
Contributed |
|
|
|
| Quantum Mechanics |
Oral |
Contributed |
|
|
|
| Treatment of Electrostatics and Polarization in the Simulation of Materials, Biomolecules and Interfaces |
Oral |
Contributed |
|
|
It is widely recognized that the long range nature of electrostatic forces warrants careful
attentio...
|
| CCG Poster Session |
Poster |
Contributed |
|
|
|
| COMP Poster Session |
Poster |
Contributed |
|
|
|
| Nvidia GPU Award |
Poster |
Contributed |
|
|
|
| OpenEye Cadence Molecular Sciences Outstanding Junior Faculty Award |
Poster |
Contributed |
|
|
|
| Wiley Poster Session |
Poster |
Contributed |
|
|
|
| Global Virtual Symposium: Computational Tools for Peptide Materials |
Oral |
Contributed |
|
|
Recent computational advances have greatly improved the study, prediction, and design of molecular m...
|
