Molecular Modeling & Simulation

Informatics, Modeling, and Simulation

Symposium Co-Chairs

Rick Ross
Lead Research Specialist
3M Company

Peter Koenig
Group Head
Procter & Gamble

Key Speakers

Stokesian Particle Dynamics for microrheology applications between chemistry and engineering
Hans Fraaije
Chief Science Advisor, Siemens, Netherlands

Combining theory and simulations with experiments for design and characterization of macromolecular materials
Arthi Jayaraman
Professor, University of Delaware

Combining Physics-based models with Bayesian methods in a Small-data world for Product Development
Sumanth Jamadagni
Group Scientist, Procter and Gamble

Materials modeling and simulation approaches continue to provide valuable insights and guidance for researchers working on new materials and product development across a wide range of industries. It is becoming clear that by encoding the physics of materials behavior, and capturing the domain knowledge from many decades of materials development and testing, these techniques may provide even greater value in machine learning and AI approaches.

This symposium will highlight the latest advances in AI, machine learning and autonomous research approaches for materials development.

We will also highlight applications-focused theoretical developments, industry applications and case studies in materials modeling and simulation (across all length scales).

Submit your abstract today and plan to share your research results and insights at this exciting event.

Back to Top ↑ 2021 Symposium Sessions
	Tuesday October 19
8:30	Advanced Materials Track Keynotes
10:30	Molecular Modeling
	Wednesday October 20
10:30	AI for Advanced Materials Discovery & Design

2021 Symposium Program
	Tuesday October 19

8:30	Advanced Materials Track Keynotes	Woodrow Wilson D
	Session chair: Martin Poitzsch, Aramco Americas
8:30	Controlling light with plasmonic materials J. Fontana, Naval Research Laboratory, US
9:00	TBA A. Scherer, California Institute of Technology, US
9:30	Nanoscale carbon for print-in-place and recyclable electronics A.D. Franklin, Duke University, US

10:30	Molecular Modeling	Baltimore 4
	Session chair: Peter Koenig, Procter & Gamble
10:30	Combining Physics-based models with Bayesian methods in a Small-data world for Product Development S. Jamadagni, Procter & Gamble, US
10:55	Combining theory and simulations with experiments for design and characterization of macromolecular materials A. Jayaraman, University of Delaware, US
11:20	Coarse-grain models of polymer melts: Preserving structure and dynamics L.C. Johnson, F.R. Phelan Jr., National Institute of Standards and Technology, US
11:40	Stokesian Particle Dynamics for microrheology applications between chemistry and engineering J.G.E.M. Fraaije, Siemens Culgi, NL
	Wednesday October 20

10:30	AI for Advanced Materials Discovery & Design	Annapolis 2
	Session chair: Richard Ross, 3M Company & Peter Koenig, Procter & Gamble
10:30	The combination of data-driven and physics-based modeling with application in protein formulations J.G.E.M. Fraaije, P. Petris, Siemens Culgi, NL
10:55	Next Generation PCIe Network Fabric for Simulators and Performance Computing C.T. Reynolds, Technical Systems Integrators, US
11:15	AI-accelerated materials innovation: From Optoelectronics to Fluorescent Biomarkers C. Kreisbeck, Kebotix, US
11:35	Machine Learning for the Exploration of Nanomaterial Synthesis Parameter Spaces R. Sappington, B. Cornick, Epic Advanced Materials, US
11:55	A Self-Driving Laboratory for Accelerated Materials Discovery C.P. Berlinguette, J.E. Hein, A. Aspuru-Guzik, B.P. MacLeod, F.G.L. Parlane, University of British Columbia, CA