AI, Modeling, and Simulation for Advanced Materials Design

Back to Top ↑ 2026 Symposium Sessions
	Wednesday March 11
1:30	AI, Modeling, and Simulation for Advanced Materials Design
4:00	AI for Materials Discovery - Posters

2026 Symposium Program
	Wednesday March 11

1:30	AI, Modeling, and Simulation for Advanced Materials Design	Marriott State E
	Session chair: Michael Webb, Princeton University, & Jan-Willem Handgraaf, Siemens
	Accelerating Polymer Discovery: Integrating High-Throughput Automation and Machine Learning for Tailored Macromolecular Design M. Tamasi, A.J. Gormley, Plexymer, Inc., US
	AI-driven polymers & formulations innovations at the industrial scale J. Nistane, R. Ramprasad, Matmerize, Inc, US
	STUDENT BEST ABSTRACT WINNER SemiOrg: An Open-Data, Open-Source FAIR Data Infrastructure for AI-Driven Discovery of Semiconducting Organic Materials T. Trapier, North Carolina State University, US
	The Use of AI Tools for Phosphorus Sustainability S.K. Pinky, P. Hogsed, A. Kancharla, N.A. Zaid, A. Gulyuk, D.S. Pendyala, R. Lakshmi-Ratan, R. Chirkova, E. McLamore, Y.G. Yingling, North Carolina State University, US
	Bridging Accuracy and Scale: AI-Accelerated Atomistic Simulation with Matlantis™ T. Watanabe, Matlantis Corp., JP
	SimuScan and Large-Area AFM: Toward Autonomous Nanoscale Discovery through Synthetic Data and Machine Learning R. Millan‐Solsona, M. Checa, L. Collins, Oak Ridge National Laboratory, US
	Finite Element Analysis and Experimental Evaluation of Biobased Flexible Packaging Films A. Rathaur, L. Pal, North Carolina State University, US
	Forecasting Emissions from Carbon Capture Plants Leveraging Advanced Artificial Intelligence Models K. Nithyanandam, S. Bhavsar, C. Kulkarni, Impact Innovations LLC, US

4:00	AI for Materials Discovery - Posters	Expo Hall AB
	Efficient in-sensor and multimodal signal processing using Hyperdimensional computing algorithms implemented on an FPGA V. Ehsan, N. Srinivasa, R. Kim, and Y. Khurana, Arch Systems, LLC, US
	AI-Driven Knowledge Graphs for Sustainable Materials Discovery and a Circular Phosphorus Economy N. Abu Zaid, Q. Yang, S. Changlani, D.S. Pendyala, B.P. Allen, A.V. Gulyuk, R. Chirkova, Y.G. Yingling, North Carolina State university, US
	Waste Valorization and AI-driven Optimization for Industrial Application. K. Shah, S. Mandal, Texas State University, US
	Temperature-Dependent Diffusion Mechanisms in Metal–Organic Frameworks Revealed by Machine-Learning Interatomic Potentials S.K. Ethirajan, A. Kulkarni, University of California, Davis, US
	SDDC-YOLO: A Diagnostic Framework for Defect Detection in Industrial Materials M. Gao, E. Shim, M. Zhu, North Carolina State University, US
	Designing Biomolecule and Surface Agnostic Interaction Descriptors Using MD M. Fedai, A.Y. Pandya, A.L. Kwansa, Y.G. Yingling, North Carolina State University, US
	Catalyzing Chemistry: Ultra High-Throughput Physical Experimentation for Advanced Materials Discovery & Optimization Z. Batts, Dot Energy LLC, US

Symposium Co-Chairs

2026 Symposium Sessions

Wednesday March 11

2026 Symposium Program

Wednesday March 11

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