TechConnect World 2016
National SBIR/STTR Conference National Innovation Summit & Showcase Nanotech 2016

Informatics, Modeling, and Simulation

Informatics, Modeling, and Simulation

Symposium Co-Chairs

Michael MakowskiMichael Makowski
Manager of New Technology Initiatives
PPG Industries

Fiona CaseFiona Case
Technical Program Chair
TechConnect; Nano Science and Technology Institute

Confirmed Invited Speakers

Andrew J. AdamczykMultiscale modeling: Application to industrial process and product development
Andrew J. Adamczyk
Computational Chemist/Engineer, Materials Technology, Air Products and Chemicals, Inc.

Carolyn PhillipsMeasuring Elastic Constants of Liquid Crystals In-Silico using Enhanced Free Energy Sampling
Carolyn Phillips
Computation Institute Fellow, University of Chicago

Yifei MoAccelerating Inorganic Materials Design and Discovery using Computational Approaches
Yifei Mo
Assistant Professor, Department of Materials Science and Engineering, University of Maryland

Samuel J TuckerUsing Simulation for Materials Development and Troubleshooting at Boeing
Samuel J Tucker
R&D Scientist, Boeing


Symposium Sessions

Wednesday May 25

10:30Informatics, Modeling & Simulation I
1:30Informatics, Modeling & Simulation II
Informatics, Modeling & Simulation: Posters 3:30

Symposium Program

Wednesday May 25

10:30Informatics, Modeling & Simulation IPotomac 6
Session chair: Michael Makowski, PPG. Industries (bio)
10:30Using Simulation for Materials Development and Troubleshooting at Boeing (invited presentation)
S. Tucker, Boeing, US
10:55Measuring Elastic Constants of Liquid Crystals In-Silico using Enhanced Free Energy Sampling (invited presentation)
C.L. Phillips, A. Joshi, J. Whitmer, J. de Pablo, Argonne National Laboratory, US
11:20Nonholonomic Ab Initio Molecular Dynamics for Computational Materials Design
E. Fahrenthold, University of Texas at Austin, US
11:40MedeA: An environment for ICME starting with atoms, and what we can learn from it
P. Saxe, Materials Design, Inc., US
1:30Informatics, Modeling & Simulation IIPotomac 6
Session chair: Michael Makowski, PPG. Industries (bio)
1:30Multiscale modeling: Application to industrial process and product development (invited presentation)
A.J. Adamczyk, Air Products and Chemicals, Inc., US
1:55Accelerating Materials Design and Discovery using Computational Approaches (invited presentation)
Y. Mo, University of Maryland, US
2:20Lattice dynamics of core-shell bimetallic nanocrystals during ultrafast laser excitation
K. Sasikumar, M. Cherukara, J.N. Clark, S.K.R.S. Sankaranarayanan, R. Harder, Argonne National Laboratory, US
2:40The fracture behavior of SiC/Cu interpenetrating phase nanocomposites: A molecular dynamics study
S. Shadlou, University of Saskatchewan, CA
3:00Multiscale Modeling of Organic-Inorganic Semiconductor Materials: Opportunities and Challenges
J. Stevenson, J. Saathoff, P. Clancy, Cornell University, US
Informatics, Modeling & Simulation: Posters 3:30Potomac Registration Hall
Investigation of Lattice Displacement Dynamics and Nanocatalytic Activity of Gold
K. Sasikumar, A. Ulvestad, J.W. Kim, R. Harder, E. Maxey, J.N. Clark, P. Mulvaney, B. Narayanan, S.A. Deshmukh, S.K.R.S. Sankaranarayanan, N. Ferrier, T. Peterka, O.G. Shpyrko, Argonne National Laboratory, US
A Full Differential Charge Pump Based on Symmetrical Complementary Half-Current Circuit Architecture
Q. Huang, W. Zhao, W. Wang, W. Wu, C. Du, Z. Feng, J. He, P. He, L. Song, Peking University Shenzhen SOC Key Laboratory, CN
A New Method to Fin-width Line Edge Roughness Effect Simulation of FinFET Performance
Y. Zhu, W. Zhao, W. Wang, W. Wu, Z. Feng, J. He, P. He, L. Song, Peking University Shenzhen SOC Key Laboratory, CN

The Informatics, Modeling and Simulation symposium provides a comprehensive forum for the multidisciplinary materials design, modeling, simulation, and informatics communities. The symposium (our 17th annual event) features presentations on the latest applications-focused research and development in computational methods, tools and simulation for advanced materials and formulation design. It will also highlight informatics and knowledge management issues including data management and expansion of data pattern recognition, structure-property correlation, and data-based prediction capabilities.

Developments in modeling and simulation tools, often in conjunction with experimental characterization, are revealing the nano- and micro-scale phenomena which determine materials performance. There is a growing consensus, and impressive early success stories, demonstrating that industrial advanced materials design tools of the future will combine theory and simulation based predictions and experimental data.

You are invited to submit on topics ranging from theoretical developments through industry-oriented applications.

Topics & Application Areas

  • Materials informatics
  • Molecular modeling
  • Multiscale modeling of advanced materials
  • Nanomaterials design using quantum chemistry
  • Novel modeling methods & theory
  • Modeling & simulation of polymer nanostructures
  • Modeling catalytic surfaces & reactions
  • Modeling & simulation of microsystems
  • Innovations in computer-aided materials design
  • Other

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