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Journal of Chemical Theory and Computation
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November 19, 2025
Melting Transitions in Small Aluminum Clusters Simulated with Energies Approaching DFT Accuracy
Anirudh Krishnadas, Nicholas E Charron, Rene Fournier
Scientific Data
|
April 18, 2026
Spectral Quantum Chemistry and Infrared Resonance Library for Data-Driven Molecular Spectroscopy
Anirudh Krishnadas, Jatin Kansal, Nicholas E Charron, et al.
The Journal of Chemical Physics
|
January 9, 2026
Geometric features and a neural network classifier for detecting melting-like transitions in clusters
Anirudh Krishnadas, Maryam Moshi, Ramon Alain Miranda Quintana, et al.
The Journal of Physical Chemistry. A
|
July 6, 2026
Stability of Some Ternary 13-Atom Icosahedral Clusters Assessed with Geometric, Electronic, and Thermodynamic Criteria
Anirudh Krishnadas, João Marcos Tomaz Palheta, Jonathan Bekele Mekonnen, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 19, 2025
Melting Transitions in Small Aluminum Clusters Simulated with Energies Approaching DFT Accuracy
Anirudh Krishnadas, Nicholas E Charron, Rene Fournier
Scientific Data
|
April 18, 2026
Spectral Quantum Chemistry and Infrared Resonance Library for Data-Driven Molecular Spectroscopy
Anirudh Krishnadas, Jatin Kansal, Nicholas E Charron, et al.
The Journal of Chemical Physics
|
January 9, 2026
Geometric features and a neural network classifier for detecting melting-like transitions in clusters
Anirudh Krishnadas, Maryam Moshi, Ramon Alain Miranda Quintana, et al.
The Journal of Physical Chemistry. A
|
July 6, 2026
Stability of Some Ternary 13-Atom Icosahedral Clusters Assessed with Geometric, Electronic, and Thermodynamic Criteria
Anirudh Krishnadas, João Marcos Tomaz Palheta, Jonathan Bekele Mekonnen, et al.
Page
of 1