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3154
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+49-30-84185 270
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Projekte

Projekte als Mitglied

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

Publikationen

2026
Geometric Features and a Neural Network Classifier for Detecting Melting-Like Transitions in Clusters J. Chem. Phys., Vol.164, 2026 Anirudh Krishnadas, Maryam Moshi, Ramon Alain Miranda Quintana, Rene Fournier BibTeX
DOI
Krishnadas, Anirudh, Dr.
2025
Melting Transitions in Small Aluminum Clusters Simulated with Energies Approaching DFT Accuracy Journal of Chemical Theory and Computation, 21(23), pp. 11894-11909, 2025 Anirudh Krishnadas, Nicolas Charron, Rene Fournier BibTeX
DOI
Krishnadas, Anirudh, Dr.
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
Krishnadas, Anirudh, Dr.