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The Journal of Chemical Physics
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December 12, 2018
Competing adsorption mechanisms of pyridine on Cu, Ag, Au, and Pt(110) surfaces
Walter Malone, Johnathan von der Heyde, Abdelkader Kara
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2024
Accessing the usefulness of atomic adsorption configurations in predicting the adsorption properties of molecules with machine learning
Walter Malone, Johnathan von der Heyde, Abdelkader Kara
Journal of Chemical Information and Modeling
|
August 14, 2023
Combining Deep Learning Neural Networks with Genetic Algorithms to Map Nanocluster Configuration Spaces with Quantum Accuracy at Low Computational Cost
Johnathan von der Heyde, Walter Malone, Nusaiba Zaman, et al.
Innovative Higher Education
|
August 25, 2020
The Development of an Academic Engagement Intervention for Academically Dismissed Students
Samuel T Beasley, Beverly J Vandiver, Ronald Dillard, et al.
Journal of Chemical Theory and Computation
|
July 2, 2020
Graphics Processing Unit-Accelerated Semiempirical Born Oppenheimer Molecular Dynamics Using PyTorch
Guoqing Zhou, Ben Nebgen, Nicholas Lubbers, et al.
The Journal of Chemical Physics
|
December 31, 2020
Photoexcitation dynamics in perylene diimide dimers
Aliya Mukazhanova, Walter Malone, Hassiel Negrin-Yuvero, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
December 26, 2025
Atomistic Mechanisms of Ti<sub>3</sub>AlC<sub>2</sub> Etching: Oxidation, Surface Stability, and Selectivity
Valentina Nesterova, Ana-Maria Stratulat, Walter Malone, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 14, 2012
Pressure-induced superconductivity in Ba0.5Sr0.5Fe2As2
Georgiy M Tsoi, Walter Malone, Walter Uhoya, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
July 3, 2019
Triphenylene-Derived Electron Acceptors and Donors on Ag(111): Formation of Intermolecular Charge-Transfer Complexes with Common Unoccupied Molecular States
Kathrin Müller, Nico Schmidt, Stefan Link, et al.
Journal of Chemical Theory and Computation
|
July 9, 2020
NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations
Walter Malone, Benjamin Nebgen, Alexander White, et al.
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of 2
Search research articles
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Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
December 12, 2018
Competing adsorption mechanisms of pyridine on Cu, Ag, Au, and Pt(110) surfaces
Walter Malone, Johnathan von der Heyde, Abdelkader Kara
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2024
Accessing the usefulness of atomic adsorption configurations in predicting the adsorption properties of molecules with machine learning
Walter Malone, Johnathan von der Heyde, Abdelkader Kara
Journal of Chemical Information and Modeling
|
August 14, 2023
Combining Deep Learning Neural Networks with Genetic Algorithms to Map Nanocluster Configuration Spaces with Quantum Accuracy at Low Computational Cost
Johnathan von der Heyde, Walter Malone, Nusaiba Zaman, et al.
Innovative Higher Education
|
August 25, 2020
The Development of an Academic Engagement Intervention for Academically Dismissed Students
Samuel T Beasley, Beverly J Vandiver, Ronald Dillard, et al.
Journal of Chemical Theory and Computation
|
July 2, 2020
Graphics Processing Unit-Accelerated Semiempirical Born Oppenheimer Molecular Dynamics Using PyTorch
Guoqing Zhou, Ben Nebgen, Nicholas Lubbers, et al.
The Journal of Chemical Physics
|
December 31, 2020
Photoexcitation dynamics in perylene diimide dimers
Aliya Mukazhanova, Walter Malone, Hassiel Negrin-Yuvero, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
December 26, 2025
Atomistic Mechanisms of Ti<sub>3</sub>AlC<sub>2</sub> Etching: Oxidation, Surface Stability, and Selectivity
Valentina Nesterova, Ana-Maria Stratulat, Walter Malone, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 14, 2012
Pressure-induced superconductivity in Ba0.5Sr0.5Fe2As2
Georgiy M Tsoi, Walter Malone, Walter Uhoya, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
July 3, 2019
Triphenylene-Derived Electron Acceptors and Donors on Ag(111): Formation of Intermolecular Charge-Transfer Complexes with Common Unoccupied Molecular States
Kathrin Müller, Nico Schmidt, Stefan Link, et al.
Journal of Chemical Theory and Computation
|
July 9, 2020
NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations
Walter Malone, Benjamin Nebgen, Alexander White, et al.
Page
of 2