OCTOBER 18-20, 2021
WASHINGTON, DC


Molecular Modeling & Simulation

Informatics, Modeling, and Simulation

Symposium Co-Chairs

Rick RossRick Ross
Lead Research Specialist
3M Company

Peter KoenigPeter Koenig
Group Head
Procter & Gamble

Key Speakers

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

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

Sumanth JamadagniCombining 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

8:30Advanced Materials Track Keynotes
10:30Molecular Modeling

Wednesday October 20

10:30AI for Advanced Materials Discovery & Design

2021 Symposium Program

Tuesday October 19

8:30Advanced Materials Track KeynotesWoodrow Wilson D
Session chair: Martin Poitzsch, Aramco Americas
8:30Controlling light with plasmonic materials
J. Fontana, Naval Research Laboratory, US
9:00TBA
A. Scherer, California Institute of Technology, US
9:30Nanoscale carbon for print-in-place and recyclable electronics
A.D. Franklin, Duke University, US
10:30Molecular ModelingBaltimore 4
Session chair: Peter Koenig, Procter & Gamble
10:30Combining Physics-based models with Bayesian methods in a Small-data world for Product Development
S. Jamadagni, Procter & Gamble, US
10:55Combining theory and simulations with experiments for design and characterization of macromolecular materials
A. Jayaraman, University of Delaware, US
11:20Coarse-grain models of polymer melts: Preserving structure and dynamics
L.C. Johnson, F.R. Phelan Jr., National Institute of Standards and Technology, US
11:40Stokesian Particle Dynamics for microrheology applications between chemistry and engineering
J.G.E.M. Fraaije, Siemens Culgi, NL

Wednesday October 20

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

Topics & Application Areas

  • Multiscale Modeling of Advanced Materials
  • Computational Fluid Dynamics
  • Finite Element Approaches
  • Novel Modeling Methods & Theory
  • Polymer Modeling & Simulation
  • Other
 

Sponsor & Exhibitor Opportunities
 

To receive announcements and news, please join our mailing list.

Click here to add this event to your calendar.
2021 Sponsors & Partners
 

2020 SBIR/STTR AGENCY PARTNERS

SBIR/STTR Agency Partners