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Theoretical and Computational Chemistry

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Bala Krishnamoorthy

4 results in Authors: Bala Krishnamoorthy

Theoretical and Computational Chemistry

Persistent Homology Metrics Reveal Quantum Fluctuations and Reactive Atoms in Path Integral Dynamics

Yunfeng Hu, Phonemany Ounkham, Ondrej Marsalek, Thomas E. Markland, Bala Krishnamoorthy, Aurora Clark

Version 1 posted 21 January 2021

357

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Theoretical and Computational Chemistry

A Geometric Measure Theory Approach to Identify Complex Structural Features of Soft Matter Surfaces

Enrique Alvarado, Zhu Liu, Michael J. Servis, Bala Krishnamoorthy, Aurora Clark

Version 1 posted 17 March 2020

738

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Theoretical and Computational Chemistry

Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identication of Small Molecule Solution-Phase Reactions

Hung Le, Sushant Kumar, Nathan May, Ernesto Martinez-Baez, Ravishankar Sundararaman, Bala Krishnamoorthy, Aurora Clark

Version 1 posted 21 September 2021

330

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Theoretical and Computational Chemistry

Electron Density Transport During Chemical Reactions

Jackson Elowitt, Nathan May, Yihui Wei, Biswajit Sadhu, Enrique Alvarado, Bala Krishnamoorthy, Aurora Clark

Version 2 posted 29 April 2025

82

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