Conference Description
The Computational Chemistry GRC is a premier, international scientific conference focused on advancing the frontiers of science through the presentation of cutting-edge and unpublished research, prioritizing time for discussion after each talk and fostering informal interactions among scientists of all career stages. The conference program includes a diverse range of speakers and discussion leaders from institutions and organizations worldwide, concentrating on the latest developments in the field. The conference is five days long and held in a remote location to increase the sense of camaraderie and create scientific communities, with lasting collaborations and friendships. In addition to premier talks, the conference has designated time for poster sessions from individuals of all career stages, and afternoon free time and communal meals allow for informal networking opportunities with leaders in the field.
Simulations and the broader area of computational chemistry are becoming integrated with the established scientific approaches of theory and experiment, and are increasingly referred to as the third pillar of modern science. These advances rely on modern computing architectures and ongoing investment in high-performance computing, but also on researchers with the skills and knowledge to utilize these to maximum effect. At this meeting, we celebrate our diverse community and explore the growing impact of Data Science on this field, ranging from the curation of databases for method development to the introduction of natural language processing and AI on coding and computational design.
We define computational chemistry in the broadest sense possible, covering the latest developments in electronic structure methods and multi-scale simulations, the study of reactions across different system sizes, timescales, and application areas, along with the integration of big data, visualization, and new computing architectures in the field. This meeting will allow participants to catch up with the latest developments and identify and discuss the challenges and opportunities in this field. We will host a diverse group of exceptional speakers, all experts in their subdisciplines, and bring them together with internationally leading scientists and early career researchers from industry and academia. In the spirit of all GRC meetings, we encourage the presentation of unpublished results at the conference.
A Gordon Research Seminar (GRS) for students and postdoctoral fellows will be held before the conference to enable young researchers to share the GRC experience. Participation of 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, inclusive, and stimulating environment.
The topics, speakers, and discussion leaders for the conference sessions are displayed below. The conference chair is currently developing their detailed program, which will include the complete meeting schedule, as well as the talk titles for all speakers. The detailed program will be available by March 23, 2024. Please check back for updates.
Reactivity in Homogeneous Catalysis
Discussion Leaders
-
Jeremy Harvey (KU Leuven, Belgium)
Speakers
-
Pavel Dub (Schrödinger, Inc., United States)
-
Olaf Wiest (University of Notre Dame, United States)
Structure, Dynamics and Reactivity of Biomolecules
Discussion Leaders
-
Emilio Gallicchio (Brooklyn College of the City University of New York, United States)
Speakers
-
Ewa Chudyk (Vertex Pharmaceuticals, United Kingdom)
-
Ron Dror (Stanford University, United States)
-
Giulia Palermo (University of California, Riverside, United States)
Photochemistry and Excited States
Discussion Leaders
-
Judy Wu (University of Houston, United States)
Speakers
-
Steven Lopez (Northeastern University, United States)
-
Basile Curchod (University of Bristol, United Kingdom)
Mechanistic Studies of Homogeneous Catalysis
Discussion Leaders
-
Claire McMullin (University of Bath, United Kingdom)
Speakers
-
Raghavan B. Sunoj (Indian Institute of Technology Bombay, India)
-
Xin Hong (Zhejiang University, China)
Machine Learning
Discussion Leaders
-
Connor Coley (Massachusetts Institute of Technology, United States)
Speakers
-
Alpha Lee (PostEra, United States)
-
David Balcells (University of Oslo, Norway)
Designs and Predictions Across Computational Chemistry
Discussion Leaders
-
Jorge J. Carbó (Universitat Rovira i Virgili, Spain)
Speakers
-
Kjell Jorner (ETH Zurich, Switzerland)
-
Ganna Gryn'ova (University of Birmingham, United Kingdom)
-
O. Maduka Ogba (Chapman University, United States)
-
Zhongyue John Yang (Vanderbilt University, United States)
New Insights in Biomolecular Systems
Discussion Leaders
-
Ana Nicoleta Bondar (University of Bucharest, Romania)
Speakers
-
Sereina Riniker (ETH Zurich, Switzerland)
-
Qiang Cui (Boston University, United States)
Solids and Surfaces
Discussion Leaders
-
Seonah Kim (Colorado State University, United States)
Speakers
-
Carole Morrison (University of Edinburgh, United Kingdom)
-
Judy Hart (UNSW Sydney, Australia)
Method Development and HPC
Discussion Leaders
-
Paul Zimmerman (University of Michigan, United States)
Speakers
-
Jean-Philip PIQUEMAL (Sorbonne Université, France)
-
Happy Sithole (CHPC, South Africa)
The GRC Power Hourâ„¢
Organizers
-
Rommie Amaro (University of California, San Diego, United States)