Thiagarajan, Ponkrshnan

1. Electronic Structure Prediction of Multi-million Atom Systems Through Uncertainty Quantification Enabled Transfer Learning
   2023/08/24 by Shashank Pathrudkar, Pathrudkar, Shashank, Ponkrshnan Thiagarajan +7 · 2 citations
   Chemical Engineering · Materials Science · #Catalysis and Oxidation Reactions #Computational Physics (physics.comp-ph) #Disordered Systems and Neural Networks (cond-mat.dis-nn) #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Quantum Physics (quant-ph)
2. Accelerating Hamiltonian Monte Carlo for Bayesian Inference in Neural Networks and Neural Operators
   2025/07/19 by Ponkrshnan Thiagarajan, Tamer A. Zaki, Thiagarajan, Ponkrshnan +3 · 2 citations
   Computer Science · Mathematics · Physics and Astronomy · #Computational Engineering #Data Analysis #FOS: Computer and information sciences #FOS: Physical sciences #Finance #Gaussian Processes and Bayesian Inference #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Markov Chains and Monte Carlo Methods #Model Reduction and Neural Networks #Statistics and Probability (physics.data-an) #and Science (cs.CE)
3. Electronic structure prediction of medium and high entropy alloys across composition space
   2024/10/10 by Shashank Pathrudkar, Pathrudkar, Shashank, S. Taylor +15 · 2 citations
   Engineering · #Additive Manufacturing Materials and Processes #Computational Physics (physics.comp-ph) #Disordered Systems and Neural Networks (cond-mat.dis-nn) #FOS: Physical sciences #High Entropy Alloys Studies #High-Temperature Coating Behaviors #Materials Science (cond-mat.mtrl-sci) #Quantum Physics (quant-ph)