Search

Theoretical and Computational Chemistry

Working Paper

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

116

Downloads

Theoretical and Computational Chemistry

Working Paper

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

259

Downloads

Theoretical and Computational Chemistry

Working Paper

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

561

Downloads

Energy

Working Paper

Unexpected Inverse Correlations and Cooperativity in Ion-pair Phase Transfer

Nitesh Kumar, Aurora Clark

190

Downloads

Physical Chemistry

Working Paper

An Octanol Hinge Opens the Door to Water Transport

Zhu Liu, Aurora Clark

749

Downloads

Theoretical and Computational Chemistry

Working Paper

The Role of Surfactant Force Field on the Properties of Liquid/Liquid Interfaces

Michael Servis, Alex McCue, Amanda Casella, Aurora Clark

293

Downloads

Physical Chemistry

Working Paper

Interfacial Heterogeneity is Essential to Water Extraction into Organic Solvents

Michael Servis, Aurora Clark

445

Downloads

Inorganic Chemistry

Working Paper

Competitive Interactions at Electrolyte/Octanol Interfaces - A Molecular Perspective

Nitesh Kumar, Michael J. Servis, Zhu Liu, Aurora Clark

420

Downloads

Physical Chemistry

Working Paper

Uranyl Speciation in the Presence of Specific Ion Gradients at the Electrolyte/Organic Interface

Nitesh Kumar, Michael J. Servis, Aurora Clark

146

Downloads

Theoretical and Computational Chemistry

Working Paper

Reimagining Third Phase Formation as the Miscibility Gap of a Molecular Solution

Michael Servis, David T. Wu, Jenife Shafer, Aurora Clark

445

Downloads

1

Citations

Refine Search

19 results in Aurora Clark in Authors: Aurora Clark

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

View abstract keyboard_arrow_down

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

View abstract keyboard_arrow_down

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

View abstract keyboard_arrow_down

Unexpected Inverse Correlations and Cooperativity in Ion-pair Phase Transfer

View abstract keyboard_arrow_down

An Octanol Hinge Opens the Door to Water Transport

View abstract keyboard_arrow_down

The Role of Surfactant Force Field on the Properties of Liquid/Liquid Interfaces

View abstract keyboard_arrow_down

Interfacial Heterogeneity is Essential to Water Extraction into Organic Solvents

View abstract keyboard_arrow_down

Competitive Interactions at Electrolyte/Octanol Interfaces - A Molecular Perspective

View abstract keyboard_arrow_down

Uranyl Speciation in the Presence of Specific Ion Gradients at the Electrolyte/Organic Interface

View abstract keyboard_arrow_down

Reimagining Third Phase Formation as the Miscibility Gap of a Molecular Solution

View abstract keyboard_arrow_down

19 results in Authors: Aurora Clark

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