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Workshop for AI-Powered Materials Discovery at Great Plains

Jun 22 – 25, 2025

University of South Dakota

US/Central timezone

Author List

Khimananda Acharya (South Dakota School of Mines and Technology)
- Author in Charge Carrier Modulation in Cr₂TiC₂Tx MXene: A Promising Material for Future Technology
Qi An (Department of Materials Science and Engineering, Iowa State University of Science and Technology)
- Author in Understanding Reaction Mechanisms of Ammonia Synthesis through the Combination of Deep Reinforcement Learning and Density Functional Theory
Steven Baksa (Northwestern University)
- Author in Molecular Dynamics Simulations of Phase Transformations in AgI with Machine-Learned Interatomic Potentials
Alejandro Barraza Valdez (Arizona State University)
- Author in Effects of Sn clustering on GeSn alloy stability and electronic properties
Debswapna Bhattacharya (Virginia Tech)
- Author in LLM-powered deep graph learning for protein-nucleic acid binding site prediction
Sanjay Bhattarai (University of South Dakota)
- Co-author in Optimizing Detector-Grade Yield in HPGe Crystal Growth for Rare-Event Searches Using Machine Learning
Rajendra Bordia (Clemson University)
- Co-author in The applications of generative adversarial networks (GANs) on the prediction of the material’s microstructure
Danna Boughner (Luxium solutions)
- Author in Growth and characterization of PMN-PT crystals by vertical gradient freeze (VGF) technology
Narayan Budhathoki, (University of South Dakota)
- Co-author in Optimizing Detector-Grade Yield in HPGe Crystal Growth for Rare-Event Searches Using Machine Learning
Gerardo Casanola (North Dakota State University)
- Author in Gradient Boosting Regression Models for Predicting Fouling Release Performance Based on PDMS and SBMA Molecular Weights
Siva Prasad Chimminiankuttichi Prabhakaran (Graduate student)
- Author in Correcting the modeling of OFETs
Mukesh Kumar Choudhary (Michigan Technological University)
- Author in Sensing of Lung Cancer Biomarkers Using Ti₂C MXenes and Machine Learning for Future Diagnostic Applications.
S. Choudhury (University of Mississippi)
- Author in Additive Manufacturing Guided with High-Speed Photography and Machine Learning
Talal Ahmed Chowdhury (University of Kansas)
- Author in Enhancing quantum utility: Simulating large-scale quantum spin chains on superconducting quantum computers
Bai Cui
- Author in AI Data Centers Powered by Small Modular Reactors
- Co-author in Machine Learning assisted design of Mo – Nb – Ta alloy for high temperature applications
Tuyen Do (University of South Dakota)
- Author in Machine Learning Tools for Prediction of Mechanical Properties for Multi-component Alloy Systems
Tuyen Do (University of South Dakota)
- Co-author in Machine-Learning-Driven Identification of Materials Dimension from Structural and Physical Features
Kunming Dong (University of South Dakota)
- Co-author in Optimizing Detector-Grade Yield in HPGe Crystal Growth for Rare-Event Searches Using Machine Learning
John Frank (Luxium solutions)
- Author in Growth and characterization of PMN-PT crystals by vertical gradient freeze (VGF) technology
Mubin Md Al Furkan (Arizona State University)
- Author in Fundamental Insights into Charge TransferAcross 2D-Bulk Heterostructure Interfaces Using Machine Learning.
Venkataramana Gadhamshetty (South Dakota School of Mines and Technology)
- Author in Machine Learning Tools for Prediction of Mechanical Properties for Multi-component Alloy Systems
Vikram Gavini (University of Michigan)
- Author in Towards Large-scale Quantum Accuracy Materials Simulations
Feliciano Giustino (University of Texas at Austin)
- Author in Automatic Differentiation in AI-Powered Thermal Transport
- Author in High-Throughput Computing, Cloud Cyberinfrastructure, and Machine Learning for Carrier Transport in Semiconductors
Etienne Gnimpieba (University of South Dakota)
- Author in Machine Learning Tools for Prediction of Mechanical Properties for Multi-component Alloy Systems
- Co-author in AI-Driven Design of Methanotroph-Material Interfaces for Catalytic and Biomanufacturing Applications
- Co-author in Biofilm-Data-Driven-Development (BD3) of next-generation materials using AI models
- Co-author in Decoding SRB Biofilm Transcriptomes for AI-Enabled Prediction and Design of Antifouling Material Surfaces
Etienne Z. Gnimpieba (University of South Dakota)
- Co-author in Machine-Learning-Driven Identification of Materials Dimension from Structural and Physical Features
Humberto González-Díaz (University of Basque Country UPV/EHU)
- Co-author in Gradient Boosting Regression Models for Predicting Fouling Release Performance Based on PDMS and SBMA Molecular Weights
Rachel Gorelik (School for Engineering of Matter, Transport and Energy, Arizona State University, Tempe, Arizona, USA)
- Co-author in Fundamental Insights into Charge TransferAcross 2D-Bulk Heterostructure Interfaces Using Machine Learning.
Adway Gupta (Arizona State University)
- Author in Effects of Sn clustering on GeSn alloy stability and electronic properties
Will Hackermer (University of South Dakota)
- Co-author in Machine-Learning-Driven Identification of Materials Dimension from Structural and Physical Features
Yiwei Han (University of Mississippi)
- Co-author in Additive Manufacturing Guided with High-Speed Photography and Machine Learning
Sebastian Hortua (University of Kansas)
- Co-author in High-Throughput Calculations of Phase Change Materials for Energy-Efficient Computing
Bharat Jasthi (South Dakota Mines)
- Author in Machine Learning Tools for Prediction of Mechanical Properties for Multi-component Alloy Systems
- Co-author in Biofilm-Data-Driven-Development (BD3) of next-generation materials using AI models
Venkata Kandadai (South Dakota School of Mines and Technology)
- Author in Machine Learning Tools for Prediction of Mechanical Properties for Multi-component Alloy Systems
Venkata Ananth Kandadai (South Dakota Mines)
- Co-author in Biofilm-Data-Driven-Development (BD3) of next-generation materials using AI models
Anil Kandalam (West Chester University)
- Co-author in A DFT Study of Rare Earth-Benzene Complexes
Tyson Karl (Univeristy of Kansas)
- Author in Electrostatic Potential and Atomic Reconstruction in Twisted Bilayer hBN using Machine-Learned Interatomic Potential
Doojin Kim (University of South Dakota)
- Co-author in Machine learning applications at high-energy particle colliders to probe triple Higgs coupling
Ashok Kumar (Central University of Punjab)
- Author in Sensing of Lung Cancer Biomarkers Using Ti₂C MXenes and Machine Learning for Future Diagnostic Applications.
Dongsheng Li (Advanced Manufacturing LLC)
- Co-author in The applications of generative adversarial networks (GANs) on the prediction of the material’s microstructure
Alexey Lipatov (South Dakota School of Mines and Technology)
- Co-author in Charge Carrier Modulation in Cr₂TiC₂Tx MXene: A Promising Material for Future Technology
Naina Maharjan (University of South Dakota)
- Author in Machine-Learning-Driven Identification of Materials Dimension from Structural and Physical Features
Connor McCollar (South Dakota Mines)
- Author in Advancing Fe-Ga Magnetic Alloys: Synthesis and Theory of Disordered and Ordered Phases
Dongming Mei
- Author in AI-Powered Materials Discovery: Opportunities, Challenges, and a Vision for Collaboration
- Co-author in Optimizing Detector-Grade Yield in HPGe Crystal Growth for Rare-Event Searches Using Machine Learning
Fang Meng (Luxium solutions)
- Author in Growth and characterization of PMN-PT crystals by vertical gradient freeze (VGF) technology
Peter Menge (Luxium solutions)
- Author in Growth and characterization of PMN-PT crystals by vertical gradient freeze (VGF) technology
Cody Milne (Arizona State University)
- Author in Effects of Sn clustering on GeSn alloy stability and electronic properties
Bernard Moussad
- Author in LLM-powered deep graph learning for protein-nucleic acid binding site prediction
Tuhin Mukherjee (Iowa State University)
- Author in Emerging AI tools for controlling grain structure, phases, and defects in 3D printed metallic parts
Himal Oli (South Dakota School of Mines and Technology)
- Author in Exploring Second-Order Nonlinear Optics in Mono- and Few-Layer 2D Perovskites
Predeep Padmanabhan (Professor of Eminence)
- Co-author in Correcting the modeling of OFETs
Ravindra Pandey (Michigan Technological University)
- Author in Sensing of Lung Cancer Biomarkers Using Ti₂C MXenes and Machine Learning for Future Diagnostic Applications.
- Co-author in A DFT Study of Rare Earth-Benzene Complexes
Puspamitra Panigrahi (Centre for Clean Energy and Nano Convergence, Hindustan Institute of Technology and Science,)
- Author in Sensing of Lung Cancer Biomarkers Using Ti₂C MXenes and Machine Learning for Future Diagnostic Applications.
Jaesuk Park (The University of Texas at Austin)
- Author in Automatic Differentiation in AI-Powered Thermal Transport
Tula R. Paudel (South Dakota School of Mines and Technology)
- Co-author in Advancing Fe-Ga Magnetic Alloys: Synthesis and Theory of Disordered and Ordered Phases
- Co-author in Charge Carrier Modulation in Cr₂TiC₂Tx MXene: A Promising Material for Future Technology
- Co-author in Exploring Second-Order Nonlinear Optics in Mono- and Few-Layer 2D Perovskites
Fei Peng (Clemson University)
- Author in The applications of generative adversarial networks (GANs) on the prediction of the material’s microstructure
Matthias Plum (South Dakota School of Mines and Technology)
- Author in Advancing Astroparticle Physics with AI: Machine Learning Techniques and Recent Results from the IceCube Neutrino Observatory
Athul Prem (University of South Dakota)
- Author in Optimizing Detector-Grade Yield in HPGe Crystal Growth for Rare-Event Searches Using Machine Learning
AliReza Rahimi (North Dakota State University)
- Co-author in Gradient Boosting Regression Models for Predicting Fouling Release Performance Based on PDMS and SBMA Molecular Weights
Bakhtiyor Rasulev (North Dakota State University)
- Co-author in Gradient Boosting Regression Models for Predicting Fouling Release Performance Based on PDMS and SBMA Molecular Weights
Rahmatullah Roche
- Author in LLM-powered deep graph learning for protein-nucleic acid binding site prediction
James Rondinelli (Northwestern University)
- Co-author in Molecular Dynamics Simulations of Phase Transformations in AgI with Machine-Learned Interatomic Potentials
Dipayan Samanta (South Dakota School of Mines and Technology)
- Author in AI-Driven Design of Methanotroph-Material Interfaces for Catalytic and Biomanufacturing Applications
Rajesh Sani (South Dakota School of Mines and Technology)
- Author in Integrative Omics and Data-Driven Discovery of Biofilm and Metal Stress Response Mechanisms in Sulfate-Reducing Bacteria
- Co-author in AI-Driven Design of Methanotroph-Material Interfaces for Catalytic and Biomanufacturing Applications
- Co-author in Biofilm-Data-Driven-Development (BD3) of next-generation materials using AI models
- Co-author in Decoding SRB Biofilm Transcriptomes for AI-Enabled Prediction and Design of Antifouling Material Surfaces
Priya Saxena (South Dakota School of Mines and Technology)
- Author in Decoding SRB Biofilm Transcriptomes for AI-Enabled Prediction and Design of Antifouling Material Surfaces
Jeff Shen (Lincoln East High School)
- Author in Machine Learning assisted design of Mo – Nb – Ta alloy for high temperature applications
Md Hossain Shuvo
- Author in LLM-powered deep graph learning for protein-nucleic acid binding site prediction
Arunima Singh (Arizona State University)
- Author in Effects of Sn clustering on GeSn alloy stability and electronic properties
- Co-author in Fundamental Insights into Charge TransferAcross 2D-Bulk Heterostructure Interfaces Using Machine Learning.
Balbeer Singh (University of South Dakota)
- Author in Machine learning applications at high-energy particle colliders to probe triple Higgs coupling
Arunima Singh (Arizona State University)
- Author in Data-driven discovery of 2D materials systems for solar energy conversion
Ram Singh (South Dakota Mines)
- Author in Biofilm-Data-Driven-Development (BD3) of next-generation materials using AI models
Steve Smith (South Dakota School of Mines and Technology)
- Co-author in Exploring Second-Order Nonlinear Optics in Mono- and Few-Layer 2D Perovskites
Vladan Stevanovic (Colorado School of Mines & NREL)
- Author in High-throughput Sampling of the Potential Energy Surface of Solids
Nayana Suresh Palaparambil (Michigan Technological University)
- Author in A DFT Study of Rare Earth-Benzene Complexes
Abhinav T (Student)
- Co-author in Correcting the modeling of OFETs
Sumit Tarafder
- Author in LLM-powered deep graph learning for protein-nucleic acid binding site prediction
Gabriella Townsley (University of Kansas)
- Author in High-Throughput Calculations of Phase Change Materials for Energy-Efficient Computing
Sunith Varghese (South Dakota School of Mines and Technology)
- Author in Machine Learning Tools for Prediction of Mechanical Properties for Multi-component Alloy Systems
Guojian Wang (Luxium solutions)
- Author in Growth and characterization of PMN-PT crystals by vertical gradient freeze (VGF) technology
Austin Warren (University of South Dakota)
- Co-author in Optimizing Detector-Grade Yield in HPGe Crystal Growth for Rare-Event Searches Using Machine Learning
Dean C. Webster (North Dakota State University)
- Co-author in Gradient Boosting Regression Models for Predicting Fouling Release Performance Based on PDMS and SBMA Molecular Weights
Stanford White (University of Mississippi)
- Co-author in Additive Manufacturing Guided with High-Speed Photography and Machine Learning
Paul White (South Dakota School of Mines and Technology)
- Author in Tuning Soft Magnetic Properties in Fe-Based Nanocrystalline Alloys via Ge Substitution
- Co-author in Advancing Fe-Ga Magnetic Alloys: Synthesis and Theory of Disordered and Ordered Phases
Xiaojun Xian (South Dakota State University)
- Author in Surface-Functionalized Ti₃C₂Tₓ MXene for Enhanced Gas Sensing: Tailoring Selectivity and Sensitivity via Material Engineering
Hai Xiao (Clemson University)
- Co-author in The applications of generative adversarial networks (GANs) on the prediction of the material’s microstructure
Chenxu Yu (Iowa State University)
- Author in Data-driven detection and assessment of nanoplastics in agricultural and biological systems
David Zeng (Dakota State University)
- Author in Fine-Tuning DeepSeek-R1 for AI-Driven Materials Discovery Using Unsloth and Domain-Specific Supervised Instruction
Qunfei Zhou (University of Kansas)
- Author in Electrostatic Potential and Atomic Reconstruction in Twisted Bilayer hBN using Machine-Learned Interatomic Potential
- Co-author in High-Throughput Calculations of Phase Change Materials for Energy-Efficient Computing

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