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Home Members Krishnadas, Anirudh

Krishnadas, Anirudh

Contact

Position
Staff
Room
3154
Phone
270
Email
Email
Division
Parallel and Distributed Computing
Department
Supercomputing
Group
HPC Consulting

Projects

Projects as Member

NHR Future Project AIC

AI-Accelerated Molecular Structure Prediction

This project aims to enhance molecular structure prediction by integrating AI-driven methods with High-Performance Computing (HPC) and spectroscopic data. Accurate...

AI-Accelerated Molecular Structure Prediction

Publications

2025
Geometric Features and a Neural Network Classifier for Detecting Melting-Like Transitions in Clusters. AIP Publications - The Journal of Chemical Physics, 2025 (revision under review) Anirudh Krishnadas, Maryam Moshi, Ramon Alain Miranda Quintana, Rene Fournier BibTeX
Melting Transitions in Small Aluminum Clusters Simulated with Energies Approaching DFT Accuracy. ACS Publications- Journal of Chemical Theory and Computation, 2025 (revision under review) Anirudh Krishnadas, Nicolas Charron, Rene Fournier BibTeX
2024
Calculation of electron-impact ionization of various benzene derivatives IOP Publications- Physica Scripta, 99(9), p. 095403, 2024 (accepted for publication) Anirudh Krishnadas, Nidhi Sinha, Tom Kirchner, Bobby Antony BibTeX
DOI