top of page

THE DIGITAL MATTER TRANSFORMATION
LAB

UPCOMING EVENTS

The National Chemistry
Conference 
01.10.2023
Chemical Crystallography Symposium 2023
04.15.2023 
DALL·E 2024-02-11 16_edited.jpg

RESEARCH FOCUS

Research at the DMT Lab is dedicated to advancing translational digital technologies that leverage high-performance computing (HPC) and machine learning (ML) to augment, simplify, or even supplant traditional physical experimentation in chemical research and development (R&D).

 

Our primary objective is to create HPC algorithms and ML models that use the power of modern supercomputers to predict the physical chemistry of large molecular systems quickly and with precision that rivals that of physical experiments.

 

We then integrate this advanced matter simulation software into automated workflows for seamless execution. These are further enhanced by ML models, trained on quantum-mechanically accurate data, to provide targeted solutions, thus minimizing reliance on physical experimentation.

 

Consequently, our software is embraced by both industry and academia as a cost-effective and time-saving alternative to physical experiments, streamlining the resolution of critical technological challenges in chemical research, including but not limited to the design of novel therapeutics, catalysts, and meta-materials with unusual and highly desirable properties.

image-2-2_edited.png
bottom of page