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Theoretical and Computational Chemistry

Working Paper

Theoretical Bounds on Electron Energy Filtering in Disordered Nanomaterials

Amro Dodin, Brian F. Aull, Roderick R. Kunz, Adam Willard

Version 1 posted 03 July 2019

629

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Theoretical and Computational Chemistry

Working Paper

Using molecular dynamics simulation to study the polarization response of the liquid water interface to surface charge heterogeneity

Sucheol Shin, Adam Willard

Version 2 posted 17 September 2021

627

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Solving the Trivial Crossing Problem While Preserving the Nodal Symmetry of the Wavefunction

Adam Willard, Elizabeth Lee

Version 1 posted 27 March 2019

476

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Catalysis

Working Paper

Bayesian Data Analysis Reveals No Preference for Cardinal Tafel Slopes in CO2 Reduction Electrocatalysis

Aditya Limaye, Joy S. Zeng, Adam Willard, Karthish Manthiram

Version 1 posted 24 August 2020

608

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Theoretical and Computational Chemistry

Working Paper

Modeling the Influence of Correlated Molecular Disorder on the Dynamics of Excitons in Organic Molecular Semiconductors

Chee Kong Lee, Liang Shi, Adam Willard

Version 1 posted 24 October 2018

747

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Materials Science

Working Paper

Epitaxial Dimers and Auger-Assisted De-Trapping in PbS Quantum Dot Solids

Rachel H. Gilmore, Yun Liu, Wenbi Shcherbakov-Wu, Nabeel Dahod, Elizabeth Lee, Mark Weidman, Huashan Li, Joel Jean, Vladimir Bulovic, Adam Willard, Jeffrey C. Grossman, William Tisdale

Version 1 posted 20 March 2019

1,075

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Physical Chemistry

Working Paper

Second-harmonic generation provides insight into the screening response of the liquid water interface

Kamal Ray, Aditya Limaye, Ka Chon Ng, Ankur Saha, Sucheol Shin, Biswajit Biswas, Marie-Pierre Gaigeot, Simone Pezzotti, Adam Willard, Heather Allen

Version 5 posted 26 June 2023

1,395

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Physical Chemistry

Working Paper

Constant Potential, Electrochemically Active Boundary Conditions for Electrochemical Simulation

Kaitlyn Dwelle, Adam Willard

Version 1 posted 15 July 2019

626

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Polymer Science

Working Paper

Polymer Metal-Organic Cage Gels Based on Cu24L24 Cuboctahedra: Design, Synthesis, and Additive Manufacturing Enabled by Three-State Photoswitching

Nathan J. Oldenhuis, Peter Qin, Shu Wang, Hong-Zhou Ye, Eric Alt, Adam Willard, Troy Van Voorhis, Stephen Craig, Jeremiah Johnson

Version 2 posted 09 September 2019

1,430

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Physical Chemistry

Working Paper

Modeling Interfacial Electron Transfer in the Double Layer: The Interplay Between Electrode Coupling and Electrostatic Driving

Aditya Limaye, Adam Willard

Version 1 posted 23 July 2019

799

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Refine Search

14 results in Adam Willard in Authors: Adam Willard

Theoretical Bounds on Electron Energy Filtering in Disordered Nanomaterials

Using molecular dynamics simulation to study the polarization response of the liquid water interface to surface charge heterogeneity

Solving the Trivial Crossing Problem While Preserving the Nodal Symmetry of the Wavefunction

Bayesian Data Analysis Reveals No Preference for Cardinal Tafel Slopes in CO2 Reduction Electrocatalysis

Modeling the Influence of Correlated Molecular Disorder on the Dynamics of Excitons in Organic Molecular Semiconductors

Epitaxial Dimers and Auger-Assisted De-Trapping in PbS Quantum Dot Solids

Second-harmonic generation provides insight into the screening response of the liquid water interface

Constant Potential, Electrochemically Active Boundary Conditions for Electrochemical Simulation

Polymer Metal-Organic Cage Gels Based on Cu24L24 Cuboctahedra: Design, Synthesis, and Additive Manufacturing Enabled by Three-State Photoswitching

Modeling Interfacial Electron Transfer in the Double Layer: The Interplay Between Electrode Coupling and Electrostatic Driving

14 results in Authors: Adam Willard