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Aurora E Clark

3PUBLICATIONS

14CO-AUTHORS

Computational chemistryCondensed matter characterisation technique developmentStatistical mechanics in chemistry

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Publications (3)

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|Mar 23, 2021

Representations of energy landscapes by sublevelset persistent homology: An example with n-alkanes.

Joshua Mirth, Yanqin Zhai, Johnathan Bush

|Apr 10, 2020

Al27 NMR chemical shift of Al(OH)<sub>4</sub> <sup>-</sup> calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems.

Ernesto Martinez-Baez, Rulin Feng, Carolyn I Pearce

|Apr 08, 2019

PageRank as a collective variable to study complex chemical transformations and their energy landscapes.

Tiecheng Zhou, Ernesto Martinez-Baez, Gregory Schenter

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Frequent Collaborators

2 joint publications

Gregory Schenter

2 joint publications

Ernesto Martinez-Baez

1 joint publications

Joshua Mirth

1 joint publications

Yanqin Zhai

1 joint publications

Johnathan Bush

1 joint publications

Enrique G Alvarado

1 joint publications

Howie Jordan

1 joint publications

Mark Heim

1 joint publications

Carolyn I Pearce

1 joint publications

Markus Pflaum

Frequent Collaborators

2 joint publications

Gregory Schenter

2 joint publications

Ernesto Martinez-Baez

1 joint publications

Joshua Mirth

1 joint publications

Yanqin Zhai

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