Multiscale Modeling of Complex Systems: Methods and Applications

Computational chemistry has revolutionized the study of molecular processes by enabling the efficient use of allocated time and resources in designing processes, characterizing new materials, and discovering new drugs. The steady and consistent development of new methods and theoretical approaches, recent breakthroughs in GPU algorithms and massive compute resources available on the cloud and high performance computers, and machine learning/artificial intelligence advances have made it possible to predict molecular properties at a level of accuracy necessary for industrial use bringing computational chemistry to a new era.

The theme of the 2022 Computational Chemistry GRC is "Multiscale Modeling of Complex Systems: Methods and Applications". This conference aims at discussing grand challenges and breakthroughs in computational chemistry methods and applications for linking molecular structure and dynamics to function, free energy applications in studying chemical processes, quantum dynamics, multiscale modeling of materials and enzymes, advances in machine learning in computational chemistry, integrating big data in drug discovery applications: from allostery to biologics design, and multiscale modeling for computer-aided drug design.

We will be hosting exceptional speakers across disciplines in computational chemistry bringing together internationally leading scientists from academia and industry. As always, in the spirit of the GRC, we encourage the presentation of unpublished results in the conference.

A Gordon Research Seminar (GRS) for students and postdoctoral fellows will be held prior to the conference to enable young researchers to share in the GRC experience. Participation of both senior and junior researchers is central to the Conference. The meeting will model the GRC tradition of an open and encouraging atmosphere for junior attendees and other conference newcomers, with the presentation of cutting-edge work at the forefront of the field, in an open and stimulating environment.