Informatics, Modeling, & Simulation

Informatics, Modeling, and Simulation

Symposium Co-Chairs

Rick Ross
Senior Research Chemist
3M Company

Key Speakers

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

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

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

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

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

Symposium Sessions
	Monday May 14
1:30	Informatics, Modeling & Simulation
	Tuesday May 15
10:30	Multi-scale Modeling
1:30	Computational Fluid Dynamics
4:00	Informatics, Modeling & Simulation: Posters

Symposium Program
	Monday May 14

1:30	Informatics, Modeling & Simulation	252 B
	Session chair: Rick Ross, 3M Company, US
1:30	Advancing a Data-Driven in silico Research Paradigm in the Chemical and Materials Domain (invited presentation) J. Hachmann, University at Buffalo, SUNY, US
1:55	Machine-learning-informed evolutionary materials design of polymers and glass-forming materials (invited presentation) D. Simmons, University of Akron, US
2:20	Application of Machine Learning and Swarm Intelligence to Wastewater Treatment C. Zhou, Cascade Clean Energy, Inc., US
2:40	Molecular Modeling of Silicon-Based Anode Material for High-Performance Lithium-Ion Batteries S. Schweizer, J.J. Low, L. Subramanian, Scienomics, US
3:00	Predicting the properties of polymeric materials via multiscale molecular modeling (invited presentation) Y.G. Yingling, North Carolina State University, US
	Tuesday May 15

10:30	Multi-scale Modeling	263 B
	Session chair: Rick Ross, 3M Company, US; Prithwiraj Maitra, Johnson and Johnson, US
10:30	Modeling the physics and chemistry behind Personal Care Products (invited presentation) P. Koenig, Procter & Gamble, US
10:55	Application of Computational Chemistry to Patent Analysis in Personal Care (invited presentation) J.G.E.M. Fraaije, Culgi BV, NL
11:20	Recent Advances in Industrial Coarse-Grained Method Development & Modeling J.-W. Handgraaf, J.G.E.M. Fraaije, Culgi BV, NL
11:40	Materials data management in research & development: improving innovation and product liability T. Ehrig, L. Klepsch, IMA Materialforschung und Anwendungstechnik GmbH, DE

1:30	Computational Fluid Dynamics	262 B
	Session chair: Kwang W. Oh, University at Buffalo (SUNY), US
1:30	CFD analysis and experimental validation of magnetic droplet generation and deflection across multilaminar flow streams J. Gómez-Pastora, I.H. Karampelas, A.Q. Alorabi, M.D. Tarn, E. Bringas, A. Iles, V.N. Paunov, N. Pamme, E.P. Furlani, I. Ortiz, University of Cantabria, ES
1:50	Numerical 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
2:10	Numerical modeling of the formation of dynamically configurable L2 lens in a microchannel A. Gupta, J. Kitting, I.H. Karampelas, Flow Science, Inc., US

4:00	Informatics, Modeling & Simulation: Posters	Expo Hall
	In-Transit Visibility and Total Asset Visibility for Cold Chain Supply Logistics B. McCleland, T.W. Russell, Myconi Technologies, US
	Two Examples of Nonclassical Fullerenes with Dodecahedral Structure F. Sanchez Bernabe, Universidad Autonoma Metropolitana, MX
	Microsystems based sensor fusion enabling standalone navigation M. Jalal, University of Windsor, CA
	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
	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
	Myconi Technical Solutions for In Transit Visibility Cold Chain Logistics B. McCleland, T.W. Russell, Myconi Technologies, 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
	Complex heterogeneous environment based on Coventor MEMS+ and Matlab/SIMULINK software for modeling and simulation MEMS Gyroscope sensors J. Nazdrowicz, M. Szermer, B. Sakowicz, A. Napieralski, Lodz University of Technology, PL

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.