Concepedia

Nicole DeGregorio

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Publications

4

Citations

61

H-Index

4

Active since

2017

Affiliations

Indiana University Bloomington(Current)

Nicole DeGregorio is an author at Indiana University Bloomington specializing in chemistry, physics, and quantum chemistry.

Publications per year

2017–2022

4

Publications

4

Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions

Nicole DeGregorio, Srinivasan S. Iyengar · Journal of Chemical Theory and Computation · 2017 · 19 citations

, , +17

Graph-Theory-Based Molecular Fragmentation for Efficient and Accurate Potential Surface Calculations in Multiple Dimensions

Anup Kumar, Nicole DeGregorio, Srinivasan S. Iyengar · Journal of Chemical Theory and Computation · 2021 · 16 citations

, , +17

Adaptive Dimensional Decoupling for Compression of Quantum Nuclear Wave Functions and Efficient Potential Energy Surface Representations through Tensor Network Decomposition

Nicole DeGregorio, Srinivasan S. Iyengar · Journal of Chemical Theory and Computation · 2019 · 14 citations

, , +17

Graph-Theoretic Molecular Fragmentation for Potential Surfaces Leads Naturally to a Tensor Network Form and Allows Accurate and Efficient Quantum Nuclear Dynamics

Anup Kumar, Nicole DeGregorio, Timothy C. Ricard et al. · Journal of Chemical Theory and Computation · 2022 · 12 citations

, , +15

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