TechConnect World 2019
 

Materials Modeling, Informatics & Machine Learning

Informatics, Modeling, and Simulation

Symposium Co-Chairs

Rick RossRick Ross
Senior Research Chemist
3M Company

Peter KoenigPeter Koenig
Group Head
Procter & Gamble

Key Speakers

Newell WashburnLearning from Small Data: Optimization of Complex Material Systems with Hierarchical Machine Learning
Newell Washburn
Associate Professor, Carnegie Mellon University; President, Ansatz AI

Chi ChenGraph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Chi Chen
Postdoctoral Researcher, University of California, San Diego

Huan TranPolymer Genome: An Informatics Platform for Rational Polymer Design
Huan Tran
Research Scientist, Georgia Institute of Technology

Subramanian SankaranarayananAI guided defect dynamics in nanoscale materials
Subramanian Sankaranarayanan
Scientist, Argonne National Laboratory

Lalitha SubramanianCombining data-driven models with physics-based models for industrial materials discovery, design, and manufacturing”
Lalitha Subramanian
Global Head of Contract Research, Dassault Systèmes

 

Symposium Sessions

Monday June 17

10:30AI for Advanced Manufacturing
1:30AI for Biomaterials, Medical and Biotech Applications

Tuesday June 18

10:30AI for Materials Development I
1:30AI for Materials Development II

Wednesday June 19

8:30AI Keynotes
10:30AI for Materials Development
1:30AI Innovations & Implementation
3:30Materials Modeling, Informatics & Machine Learning: Posters
3:30AI & Machine Learning Applications: Posters

Symposium Program

Monday June 17

10:30AI for Advanced Manufacturing304
Session chair: Brent Segal, Lockheed Martin, US
10:30AI at Scale: Real World Industrial Applications
C. Lefebvre, nDimensional, US
10:50Science-Guided AI for Development of New Biofuels and Bioenergy Production Technologies
M. Urgun-Demirtas, Y. Lin, P. Laible, Argonne National Laboratory, US
11:10Rapid Artificially Intelligent Design
S. Guerin, Z. Rogers, Additive Rocket Corporation, US
11:30Robot Axis Control Using a Differential Learning Algorithm
B. Abegaz, Loyola University of Chicago, US
11:50Tension prediction using web moving speed and natural vibration frequency
X. Du, J. Yan, University of Massachusetts, Amherst, US
1:30AI for Biomaterials, Medical and Biotech Applications304
Session chair: Sarah Tao, Sanofi, US
1:30Automating Chemical Synthesis using AI and Automated Systems
P. Madrid, J.P. Malerich, M. Latendresse, M. Krummenacker, D. Stout, J-P. Lim, Vi-Anh Vu, J. Szeto, K. Rucker, J. White, N. Collins, SRI, US
1:55The Concept of “Sniper Shoot” in Discovery of a New Drugs
A. Yu. Rogachev, Illinois Institute of Technology, US
2:15Next-Generation Cheminformatics Approaches for Rational Drug Discovery
D. Fourches, North Carolina State University, US
2:35Deep convolutional neural network and image prior based super resolution for X-ray nano-tomography
K.C. Prabhat, V. DeAndrade, N. Kasturi, X. Yang, Argonne National Laboratory; The University of Chicago, US
2:55Effective Radiation Therapy Using Accurate Tumor Segmentation
G. Rasool, Rowan University, US

Tuesday June 18

10:30AI for Materials Development I304
Session chair: Peter Koenig, Procter & Gamble, US
10:30Learning from Small Data: Optimization of Complex Material Systems with Hierarchical Machine Learning
N. Washburn, Carnegie Mellon University, US
10:55Combining data-driven models with physics-based models for industrial materials discovery, design, and manufacturing
S. Sankaranarayanan, Argonne National Laboratory, US
11:20Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
C. Chen, University of California, San Diego, US
11:45Combining data-driven models with physics-based models for industrial materials discovery, design, and manufacturing
L. Subramanian, Dassault Systems, US
12:10Accelerating Materials Development with Uncertainty-Aware Sequential Learning
M. Hutchinson, Citrine Informatics, CA
1:30AI for Materials Development II304
1:30Towards Autonomous Materials Research Systems
J. Hattrick-Simpers, NIST, US
1:55Autonomous Research for Carbon Nanotube Synthesis
Benji Maruyama, Air Force Research Laboratory, US
2:20Polymer Genome: An Informatics Platform for Rational Polymer Design
H. Tran, Georgia Institute of Technology, US
2:45A Self-Driving Laboratory for Accelerating Materials Discovery
C.P. Berlinguette, J.E. Hein, A. Aspuru-Guzik, B.P. MacLeod, F.G.L. Parlane, B. Lam, University of British Columbia, CA
3:05Smart design of organic and organometallic materials using automated machine learning methods and workflows
H.S. Kwak, T. Robertson, C.M. Krauter, K. Leswing, M.D. Halls, Schrodinger, Inc., US
3:25Computational screening of Li and Na fast ion conductors using high-throughput bond-valence calculations and machine-learning analysis
Javier Carrasco, CIC Energigune, ES

Wednesday June 19

8:30AI Keynotes304
8:30Welcome - Sector Expanding AI Innovation Impact
B.M. Segal, Lockheed Martin, US
8:55Multispectral cross-modal machine learning for material characterization and property predictioncharacterization and property prediction
W. Li, Aramco Research Center, US
9:20Advances in AI for Design and Discovery
J. Kautz, NVIDIA, US
10:30AI for Materials Development304
10:30The Search for Ground Truth: Machine Learning for Mechanical Design
K. Brown, Boston University, US
10:55AI For Material and Molecule Discovery
P. Das, IBM Thomas J Watson Research Center, US
11:15Predicting potential energy surfaces with machine learning
M. Hellström, Software for Chemistry & Materials BV, NL
11:35Coarse-grained modeling of polycrystalline ice in supercooled water
H. Chan, M. Cherukara, B. Narayanan, T. Loeffler, C. Benmore, S. Gray, S. Sankaranarayanan, Argonne National Laboratory, US
11:55Machine Learning for Glass Science and Engineering
M. Bauchy, University of California, Los Angeles, US
1:30AI Innovations & Implementation304
1:303 Tiers of Cyber Security - The Future of Cyber Science
M.H. Nance, C. Johnson-Bey, Lockheed Martin, US
1:50MiniZinc - a constraint modeling language
D. Hemmi, Monash University, AU
2:10Discussion Panel: Telling the story of AI internally - the missing piece of implementation
E. Thoresen, Midwest Capital Group, US
3:30Materials Modeling, Informatics & Machine Learning: PostersBoylston Hallway
Analysis of Gate-Length Dependence of Lags and Current Collapse in Field-Plate AlGaN/GaN HEMTs
T. Chiba, Y. Saito, R. Tsurumaki, K. Horio, Shibaura Institute of Technology, JP
Analysis of Breakdown Characteristics in Field-Plate AlGaN/GaN HEMTs: Dependence on Deep-Acceptor Density in Buffer Layer
S. Akiyama, M. Kondo, L. Wada, K. Horio, Shibaura Institute of Technology, JP
Improved Electric Field Decomposition Capacitance Model with 3-D Terminal and Fringe Components in Sub-28nm Interconnect
S. Ueda, R. Tomita, Y. Kawada, K. Horio, Shibaura Institute of Technology, JP
Interaction modeling of interfacial surfaces with molecular agents: an approach to the problem of bioaccumulation of lead in fish
O. Torres, E. González, Pontificia Universidad Javeriana, CO
Molecular Dynamics Simulation Study on Nanoelectromechanical Oscillator based on Graphene Nanoflake
O.K. Kwon, J.W. Kang, Semyung University, KR
Violation of the Zeroth Law of Thermodynamics -- Thermodynamic Properties of a long-range Interacting System
Z-Y. Yang, Duke University, US
3:30AI & Machine Learning Applications: PostersBoylston Hallway
Intelligent Transportation Asset Management System
P. Bhavsar, N. Bouaynaya, Y. Mehta, G. Rasool, CREATEs at Rowan University, US
A Learning-based Approach to Cover Short-term Camera Failure in a Monocular Visual Inertial Odometry System
Y. Tian, Embry-Riddle Aeronautical University, US
Feedback Control of an ROS-Enabled Autonomous Vehicle
B. Abegaz, Loyola University of Chicago, US
Smart Control of an Electric Power Assisted Steering (EPAS)
B. Abegaz, Loyola University of Chicago, US
Fader Axis
D. Hemmi, Monash University, AU
Bayesian Reasoning For Better Thinking
D. Hemmi, Monash University, AU
Image-based damage conditional assessment of large-scale infrastructure systems using remote sensing and deep learning approaches
H. Pan, Z. Zhang, X. Wang, Z. Lin, North Dakota State University, US
A Neural Network to Replace all Cancer Diagnostics - Molecular Maps to Avoid Drug Resistance
D. Richardson, D. Derkach, bioSyntagma, US
Real World Optimization of Traffic Flow Inside a Large Manufacturing Facility
M. Griffin, Insight, US

The Informatics, Modeling and Simulation symposium provides a comprehensive forum for the multidisciplinary materials design, modeling, simulation, and informatics communities. You are invited to submit on topics ranging from applications-focused theoretical developments to industry applications and case studies.

2019 Sponsors & Partners
 

SBIR/STTR Agency Partners:

SBIR/STTR Agency Partners