TechConnect World 2018

Informatics, Modeling, & Simulation

Informatics, Modeling, and Simulation

Posters Due: March 30, 2018 (poster consideration only)

Symposium Co-Chairs

Michael MakowskiMichael Makowski
Technical Platform Manager
PPG Industries

Rick RossRick Ross
Senior Research Chemist
3M Company

Key Speakers

Johannes HachmannAdvancing a data-driven in silico research paradigm in the chemical and materials domain
Johannes Hachmann
Assistant Professor, University at Buffalo, SUNY

David S SimmonsMachine-learning-informed evolutionary materials design of polymers and glass-forming materials
David S Simmons
Assistant Professor of Polymer Engineering, University of Akron

Peter KoenigModeling the physics and chemistry behind Personal Care Products
Peter Koenig
Group Head, Procter & Gamble

Hans  FraaijeApplication of Computational Chemistry to Patent Analysis in Personal Care
Hans Fraaije
Founder, Culgi Inc.

Yaroslava G.  YinglingDeciphering responsive behavior of soft materials
Yaroslava G. Yingling
Professor of Materials Science and Engineering, NC State University

Symposium Sessions

Monday May 14

1:30Informatics, Modeling & Simulation

Tuesday May 15

10:30Multi-scale Modeling
1:30Computational Fluid Dynamics
4:00Informatics, Modeling & Simulation: Posters

Symposium Program

Monday May 14

1:30Informatics, Modeling & Simulation
1:30Advancing a Data-Driven in silico Research Paradigm in the Chemical and Materials Domain (invited presentation)
J. Hachmann, University at Buffalo, SUNY, US
1:55Machine-learning-informed evolutionary materials design of polymers and glass-forming materials (invited presentation)
D. Simmons, University of Akron, US
2:20Application of Machine Learning and Swarm Intelligence to Wastewater Treatment
2:40Guiding design of functional materials with machine learning
P.V. Balachandran, University of Virginia, US
3:00Molecular Modeling of Silicon-Based Anode Material for High-Performance Lithium-Ion Batteries
S. Schweizer, J.J. Low, L. Subramanian, Scienomics, US
3:20Predicting the properties of polymeric materials via multiscale molecular modeling (invited presentation)
Y.G. Yingling, North Carolina State University, US

Tuesday May 15

10:30Multi-scale Modeling
10:30Modeling the physics and chemistry behind Personal Care Products (invited presentation)
P. Koenig, Procter & Gamble, US
10:55Application of Computational Chemistry to Patent Analysis in Personal Care (invited presentation)
J.G.E.M. Fraaije, Culgi BV, NL
11:20Multiscale Methods in Computational Chemistry
S. Gusarov, National Research Council of Canada, CA
11:40Recent Advances in Industrial Coarse-Grained Method Development & Modeling
J.-W. Handgraaf, J.G.E.M. Fraaije, Culgi, NL
12:00Materials data management in research & development: improving innovation and product liability
T. Ehrig, L. Klepsch, IMA Materialforschung und Anwendungstechnik GmbH, DE
1:30Computational Fluid Dynamics
1:30CFD analysis and experimental validation of magnetic droplet generation and deflection across multilaminar flow streams
J. Gómez-Pastora, I.H. Karampelas, M.D. Tarn, E. Bringas, A. Iles, N. Pamme, E.P. Furlani, I. Ortiz, University of Cantabria, ES
1:50Numerical Simulation of Flow and Heat Transfer of a Ferrofluid in a Partially Filled Porous Channel in a Gradient Magnetic Field
A. Mokhtare, A. Jafari, E.P. Furlani, University at Buffalo, US
2:10Numerical modeling of the formation of dynamically configurable L2 lens in a microchannel
A. Gupta, J. Kitting, I.H. Karampelas, Flow Science, Inc., US
2:30Do all glasses empty when turned to the horizontal?
C. Rascón, A.O. Parry, D.G.A.L. Aarts, Universidad Carlos III de Madrid, ES
4:00Informatics, Modeling & Simulation: Posters
Bio-Inspired IoT SoC : Multiscale modeling and characterization
M. Hamdi, Insat, TN
Two Examples of Nonclassical Fullerenes with Dodecahedral Structure
F. Sanchez Bernabe, Universidad Autonoma Metropolitana, MX
Simulation of Breakdown Characteristics of AlGaN/GaN HEMTs with Double Passivation Layers
K. Nakano, H. Hanawa, K. Horio, Shibaura institute of Technology, JP
Effect of Deep-Acceptor Density in Buffer Layer on Breakdown Voltage of AlGaN/GaN HEMTs with High-k Passivation Layer
S. Ueda, Y. Kawada, K. Horio, Shibaura institute of Technology, JP
Analysis of Breakdown Characteristics of Field-Plate AlGaN/GaN HEMTs with a High-k Passivation Layer
T. Kabemura, H. Hanawa, K. Horio, Shibaura institute of Technology, JP
Crossbar architecture for Memristor based Memory
M. Negi, S. Srinivasan, L. He, San Jose State University, US
Molecular Dynamics Simulations Study on CNT Oscillator encapsulated in Graphene Nanoribbon Trench
J-W Kang, Korea National University of Transportation, KR
Coarse-Grained Molecular Modeling Methods in Industrial Practice; the Why, The How and the Future.
J. Fraaije, J.-W. Handgraaf, Culgi BV and Leiden University, NL
A new EKF SLAM algorithm of lidar-based AGV fused with bearing information
H.X. Ye C. Zhou, Stevens Institue of Techonlogy, US
HPC4Manufacturing Program: A National Laboratory - Industry Partnership in High Performance Computational Simulations for Energy Efficiency
R. Miles, L. Diachin, Lawrence Livermore National Laboratory, US

The Informatics, Modeling and Simulation symposium provides a comprehensive forum for the multidisciplinary materials design, modeling, simulation, and informatics communities. The 2018 symposium (our 19th annual event) will feature 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.

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

Submit Your Abstract

Please first review the information for authors — abstract submission guidelines.


Topics & Application Areas

  • Multiscale Modeling of Advanced Materials
  • Molecular Modeling
  • Materials 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
Sponsors & Partners
2018 Sponsors & Partners

TechConnect World 2018

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