TechConnect World 2019
 

Materials Modeling, Informatics & Machine Learning

Informatics, Modeling, and Simulation

Submit Abstract - due April 12 »

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
CSO & VP Services, Scienomics

 

Symposium Sessions

Monday June 17

10:30Biomaterials Design In Silco
1:30Advanced Materials In Silico Design

Tuesday June 18

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

Wednesday June 19

8:30AI Keynotes
10:30AI for Advanced Manufacturing
1:30AI for Biomaterials, Medical and Biotech Applications
4:00Materials Modeling, Informatics & Machine Learning: Posters

Symposium Program

Monday June 17

10:30Biomaterials Design In Silco
Unleashing the power of quantum mechanics in chemistry, biology and materials: first results and future developments
P.E.M. Lopes, Fastcompchem.com, US
Peptide Self-Assembly into Nanostructures for Neuronal Proliferation
P. Macha, V. Soni, M. Mayes, M.C. Vasudev, University of Massachusetts Dartmouth, US
Towards Application of Molecular Solvation Theory in Biochemical and Biomolecular Systems
A. Kovalenko, University of Alberta, CA
Catalytic mechanism of biomaterials in cartilage: a bottom-up computational investigation of the aggrecan cleavage site
D. Li, S-W Chang, National Taiwan University, TW
1:30Advanced Materials In Silico Design
Effects of Ge Pre-amorphization Implantation (PAI) on Dopant Activity and Contact Resistivity: Ab-Initio Study of Si/Si1-xGex(EPI)/Silicide contacts
S. Dag, E.C. Silva, O.D. Restrepo, R. Lee, D. Ferrer Luppi, E. Mehdi Bazizi, Globalfoundries, US
On the atomistic modelling of metal surfaces under high electric fields
E. Baibuz, A. Kyritsakis, V. Jansson, F. Djurabekova, University of Helsinki, FI
Effect of the core thickness on the physical properties of ZnO/TiO2 core/shell nanostructures: First-principles study
S. Haffad, K.K. Kiprono, University of Bejaia, DZ
Influences of combinational distributions of various Ca/Si ratios and defects on the mechanical properties of calcium silicate hydrates
Y. Chiang, S-W Chang, National Taiwan University, TW
Finite-temperature stress calculation and phonon dispersion evolution in a uniaxially strained anharmonic crystal
R. Parthasarathy, A. Misra, L. Ouyang, Tennessee State University, US

Tuesday June 18

10:30AI for Materials Development I
Learning from Small Data: Optimization of Complex Material Systems with Hierarchical Machine Learning
N. Washburn, Carnegie Mellon University, US
Combining data-driven models with physics-based models for industrial materials discovery, design, and manufacturing
S. Sankaranarayanan, Argonne National Laboratory, US
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
C. Chen, University of California, San Diego, US
AI guided defect dynamics in nanoscale materials
L. Subramanian, Scienomics, US
Accelerating Materials Development with Uncertainty-Aware Sequential Learning
E. Kim, Citrine Informatics, CA
1:30AI for Materials Development II
TBA
J. Hattrick-Simpers, NIST, US
Polymer Genome: An Informatics Platform for Rational Polymer Design
H. Tran, Georgia Institute of Technology, US
A 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
Databases and Beyond: Enabling Polymer Informatics
D.J. Audus, R. Tchoua, K. Chard, L. Ward, S.N. Patel, J.J. de Pablo, I.T. Foster, National Institute of Standards and Technology, US
Smart 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
Predicting potential energy surfaces with machine learning
M. Hellström, Software for Chemistry & Materials BV, NL

Wednesday June 19

8:30AI Keynotes
Welcome - Sector Expanding AI Innovation Impact
B.M. Segal, Lockheed Martin, US
Multispectral cross-modal machine learning for material characterization and property predictioncharacterization and property prediction
W. Li, Aramco Research Center, US
NVIDIA Learning and Perception Research
J. Kautz, NVIDIA
The Search for Ground Truth: Machine Learning for Mechanical Design
K. Brown, Boston University, US
10:30AI for Advanced Manufacturing
Interactive Deep Learning Tool to Discover Disruptive Technologies
M. Price, Vector Analytics, US
AI at Scale: Real World Industrial Applications
C. Lefebvre, nDimensional, US
Science-Guided AI for Development of New Biofuels and Bioenergy Production Technologies
M. Urgun-Demirtas, Y. Lin, P. Laible, Argonne National Laboratory, US
Rapid Artificially Intelligent Design
S. Guerin, Z. Rogers, Additive Rocket Corporation, US
Robot Axis Control Using a Differential Learning Algorithm
B. Abegaz, M. Pecherek, Loyola University of Chicago, US
Tension 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 Applications
Deep 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
Effective Radiation Therapy Using Accurate Tumor Segmentation
G. Rasool, Rowan University, US
Cartesian Neural Network Constitutive Models for 3-D Elasticity Imaging
C. Hoerig, J. Ghaboussi, M.F. Insana, University of Illinois at Urbana-Champaign, US
The Concept of “Sniper Shoot” in Discovery of a New Drugs
A. Yu. Rogachev, Illinois Institute of Technology, US
Next-Generation Cheminformatics Approaches for Rational Drug Discovery
D. Fourches, North Carolina State University, US
3 Tiers of Cyber Security - The Future of Cyber Science
M.H. Nance, C. Johnson-Bey, Lockheed Martin, US
Reaching the Potential of Artificial Intelligence (AI) in Healthcare Data
B. Scarpelli, Connected Health Initiative, US
Artificial Immune System Based Approach to Cyber Attack Detection
T. Saadawi, CIty University of New York, US
4:00Materials Modeling, Informatics & Machine Learning: Posters
Using DAMASK for multi scale modeling of TRIP Steel Mg-PSZ Metal Matrix Composites
F. Qayyum, Technische Universität Bergakademie Freiberg, Germany, DE
Multimodal Convolutional Neural Network for Music-Video Emotion Analysis
Y.R. Pandeya, Chonbuk National University, KR
High-speed contact mechanics between amorphous carbon nanoparticles
W.F. Sun, P.W. Chen, Beijing Institute of Technology, CN
Applying Machine Learning to Cyber
A. Kam, Lockheed Martin, US
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
Analysis of Breakdown Voltage of AlGaN/GaN HEMTs with High-k Passivation Layer and High Acceptor Density in Buffer Layer
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
Intelligent Transportation Asset Management System
P. Bhavsar, N. Bouaynaya, Y. Mehta, G. Rasool, TransDAC, US
Process plants: digitize for operational excellence
MP. Sukumaran Nair, Center for Green Technology & Management, IN
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, J. Gamilla, Loyola University of Chicago, US
Smart Control of an Electric Power Assisted Steering (EPAS)
B. Abegaz, A. Share, D. Paper, Loyola University of Chicago, 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.

Submit Your Abstract

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

 

Topics & Application Areas

  • Modeling, Informatics & Machine Learning in Materials Design
  • Multiscale Modeling of Advanced Materials
  • Molecular Modeling
  • Novel Modeling Methods & Theory
  • Modeling & Simulation of Polymer Nanostructures
  • Modeling Catalytic Surfaces & Reactions
  • Modeling & Simulation of Microsystems
  • MEMS & Circuit Modeling
  • Other
2019 Sponsors & Partners
 

SBIR/STTR Agency Partners:

SBIR/STTR Agency Partners