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Journal of Chemical Theory and Computation
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December 3, 2015
Meta-Optimization of Evolutionary Strategies for Empirical Potential Development: Application to Aqueous Silicate Systems
Brian C Barnes, Lev D Gelb
Journal of Chemical Information and Modeling
|
October 27, 2025
Data Fusion of Deep Learned Molecular Embeddings for Property Prediction
Robert J Appleton, Brian C Barnes, Alejandro Strachan
Langmuir : the ACS Journal of Surfaces and Colloids
|
April 29, 2009
Structure, thermodynamics, and solubility in tetromino fluids
Brian C Barnes, Daniel W Siderius, Lev D Gelb
Journal of Chemical Information and Modeling
|
October 15, 2020
Prediction of Energetic Material Properties from Electronic Structure Using 3D Convolutional Neural Networks
Alex D Casey, Steven F Son, Ilias Bilionis, et al.
Journal of Chemical Information and Modeling
|
October 14, 2022
Building Chemical Property Models for Energetic Materials from Small Datasets Using a Transfer Learning Approach
Joshua L Lansford, Brian C Barnes, Betsy M Rice, et al.
Journal of Chemical Information and Modeling
|
June 23, 2020
Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning
Michael E Fortunato, Connor W Coley, Brian C Barnes, et al.
Journal of Molecular Graphics & Modelling
|
March 5, 2021
Machine learning transition temperatures from 2D structure
Andrew E Sifain, Betsy M Rice, Samuel H Yalkowsky, et al.
The Journal of Chemical Physics
|
May 3, 2014
Two-component order parameter for quantifying clathrate hydrate nucleation and growth
Brian C Barnes, Gregg T Beckham, David T Wu, et al.
The Journal of Physical Chemistry. A
|
August 26, 2024
Predicting Hydrocarbon Strain Energy via a Group Equivalent Machine Learning Approach
Jesse C Hearn, Betsy M Rice, Brian C Barnes, et al.
The Journal of Physical Chemistry. B
|
October 28, 2014
Reaction coordinate of incipient methane clathrate hydrate nucleation
Brian C Barnes, Brandon C Knott, Gregg T Beckham, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
December 3, 2015
Meta-Optimization of Evolutionary Strategies for Empirical Potential Development: Application to Aqueous Silicate Systems
Brian C Barnes, Lev D Gelb
Journal of Chemical Information and Modeling
|
October 27, 2025
Data Fusion of Deep Learned Molecular Embeddings for Property Prediction
Robert J Appleton, Brian C Barnes, Alejandro Strachan
Langmuir : the ACS Journal of Surfaces and Colloids
|
April 29, 2009
Structure, thermodynamics, and solubility in tetromino fluids
Brian C Barnes, Daniel W Siderius, Lev D Gelb
Journal of Chemical Information and Modeling
|
October 15, 2020
Prediction of Energetic Material Properties from Electronic Structure Using 3D Convolutional Neural Networks
Alex D Casey, Steven F Son, Ilias Bilionis, et al.
Journal of Chemical Information and Modeling
|
October 14, 2022
Building Chemical Property Models for Energetic Materials from Small Datasets Using a Transfer Learning Approach
Joshua L Lansford, Brian C Barnes, Betsy M Rice, et al.
Journal of Chemical Information and Modeling
|
June 23, 2020
Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning
Michael E Fortunato, Connor W Coley, Brian C Barnes, et al.
Journal of Molecular Graphics & Modelling
|
March 5, 2021
Machine learning transition temperatures from 2D structure
Andrew E Sifain, Betsy M Rice, Samuel H Yalkowsky, et al.
The Journal of Chemical Physics
|
May 3, 2014
Two-component order parameter for quantifying clathrate hydrate nucleation and growth
Brian C Barnes, Gregg T Beckham, David T Wu, et al.
The Journal of Physical Chemistry. A
|
August 26, 2024
Predicting Hydrocarbon Strain Energy via a Group Equivalent Machine Learning Approach
Jesse C Hearn, Betsy M Rice, Brian C Barnes, et al.
The Journal of Physical Chemistry. B
|
October 28, 2014
Reaction coordinate of incipient methane clathrate hydrate nucleation
Brian C Barnes, Brandon C Knott, Gregg T Beckham, et al.
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of 2