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Journal of Chemical Information and Modeling
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January 9, 2025
Adaptive Lambda Scheduling: A Method for Computational Efficiency in Free Energy Perturbation Simulations
Scott D Midgley, Sofia Bariami, Matthew Habgood, et al.
The Journal of Physical Chemistry Letters
|
May 25, 2021
Bandgap Engineering in the Configurational Space of Solid Solutions via Machine Learning: (Mg,Zn)O Case Study
Scott D Midgley, Said Hamad, Keith T Butler, et al.
ACS Earth & Space Chemistry
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September 3, 2021
Sulfate and Molybdate Incorporation at the Calcite-Water Interface: Insights from Ab Initio Molecular Dynamics
Scott D Midgley, Devis Di Tommaso, Dominik Fleitmann, et al.
The Journal of Physical Chemistry. B
|
December 1, 2022
Understanding X-ray Photoelectron Spectra of Ionic Liquids: Experiments and Simulations of 1-Butyl-3-methylimidazolium Thiocyanate
Ekaterina Gousseva, Scott D Midgley, Jake M Seymour, et al.
Chemical Science
|
June 14, 2021
Single-site binding of pyrene to poly(ester-imide)s incorporating long spacer-units: prediction of NMR resonance-patterns from a fractal model
Marcus Knappert, Tianqi Jin, Scott D Midgley, et al.
ACS Applied Materials & Interfaces
|
January 17, 2020
Novel WS<sub>2</sub>-Based Nanofluids for Concentrating Solar Power: Performance Characterization and Molecular-Level Insights
Paloma Martínez-Merino, Scott D Midgley, Elisa I Martín, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
January 9, 2025
Adaptive Lambda Scheduling: A Method for Computational Efficiency in Free Energy Perturbation Simulations
Scott D Midgley, Sofia Bariami, Matthew Habgood, et al.
The Journal of Physical Chemistry Letters
|
May 25, 2021
Bandgap Engineering in the Configurational Space of Solid Solutions via Machine Learning: (Mg,Zn)O Case Study
Scott D Midgley, Said Hamad, Keith T Butler, et al.
ACS Earth & Space Chemistry
|
September 3, 2021
Sulfate and Molybdate Incorporation at the Calcite-Water Interface: Insights from Ab Initio Molecular Dynamics
Scott D Midgley, Devis Di Tommaso, Dominik Fleitmann, et al.
The Journal of Physical Chemistry. B
|
December 1, 2022
Understanding X-ray Photoelectron Spectra of Ionic Liquids: Experiments and Simulations of 1-Butyl-3-methylimidazolium Thiocyanate
Ekaterina Gousseva, Scott D Midgley, Jake M Seymour, et al.
Chemical Science
|
June 14, 2021
Single-site binding of pyrene to poly(ester-imide)s incorporating long spacer-units: prediction of NMR resonance-patterns from a fractal model
Marcus Knappert, Tianqi Jin, Scott D Midgley, et al.
ACS Applied Materials & Interfaces
|
January 17, 2020
Novel WS<sub>2</sub>-Based Nanofluids for Concentrating Solar Power: Performance Characterization and Molecular-Level Insights
Paloma Martínez-Merino, Scott D Midgley, Elisa I Martín, et al.
Page
of 1