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Scientific Reports
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October 11, 2023
Development of scalable and generalizable machine learned force field for polymers
Shaswat Mohanty, James Stevenson, Andrea R Browning, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
June 7, 2024
Nanoscale Simulation of Plastic Contaminants Migration in Packaging Materials and Potential Leaching into Model Food Fluids
Paulo G M Mileo, Caroline M Krauter, Jeffrey M Sanders, et al.
Carbohydrate Polymers
|
November 13, 2020
Characterizing moisture uptake and plasticization effects of water on amorphous amylose starch models using molecular dynamics methods
Jeffrey M Sanders, Mayank Misra, Thomas J L Mustard, et al.
Inorganic Chemistry
|
January 14, 2010
A family of heteroleptic titanium guanidinates: synthesis, thermolysis, and surface reactivity
Yamile A Wasslen, Eva Tois, Suvi Haukka, et al.
Frontiers in Chemistry
|
February 3, 2022
Design of Organic Electronic Materials With a Goal-Directed Generative Model Powered by Deep Neural Networks and High-Throughput Molecular Simulations
H Shaun Kwak, Yuling An, David J Giesen, et al.
The Journal of Physical Chemistry. B
|
August 16, 2022
High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations
Steven Dajnowicz, Garvit Agarwal, James M Stevenson, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
April 4, 2023
Exploring the Effects of Wetting and Free Fatty Acid Deposition on an Atomistic Hair Fiber Surface Model Incorporating Keratin-Associated Protein 5-1
Jeffrey M Sanders, Benjamin J Coscia, Alexandr Fonari, et al.
Frontiers in Chemistry
|
May 22, 2020
Molecular Design Based on Donor-Weak Donor Scaffold for Blue Thermally-Activated Delayed Fluorescence Designed by Combinatorial DFT Calculations
Youichi Tsuchiya, Keita Tsuji, Ko Inada, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 4, 2023
Shearing friction behaviour of synthetic polymers compared to a functionalized polysaccharide on biomimetic surfaces: models for the prediction of performance of eco-designed formulations
Benjamin J Coscia, John C Shelley, Andrea R Browning, et al.
The Journal of Physical Chemistry. A
|
February 19, 2020
Massive Theoretical Screen of Hole Conducting Organic Materials in the Heteroacene Family by Using a Cloud-Computing Environment
Nobuyuki N Matsuzawa, Hideyuki Arai, Masaru Sasago, et al.
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Search research articles
Search
Showing results (21-30 of 37) with videos related to
Sort By:
Page
of 4
Scientific Reports
|
October 11, 2023
Development of scalable and generalizable machine learned force field for polymers
Shaswat Mohanty, James Stevenson, Andrea R Browning, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
June 7, 2024
Nanoscale Simulation of Plastic Contaminants Migration in Packaging Materials and Potential Leaching into Model Food Fluids
Paulo G M Mileo, Caroline M Krauter, Jeffrey M Sanders, et al.
Carbohydrate Polymers
|
November 13, 2020
Characterizing moisture uptake and plasticization effects of water on amorphous amylose starch models using molecular dynamics methods
Jeffrey M Sanders, Mayank Misra, Thomas J L Mustard, et al.
Inorganic Chemistry
|
January 14, 2010
A family of heteroleptic titanium guanidinates: synthesis, thermolysis, and surface reactivity
Yamile A Wasslen, Eva Tois, Suvi Haukka, et al.
Frontiers in Chemistry
|
February 3, 2022
Design of Organic Electronic Materials With a Goal-Directed Generative Model Powered by Deep Neural Networks and High-Throughput Molecular Simulations
H Shaun Kwak, Yuling An, David J Giesen, et al.
The Journal of Physical Chemistry. B
|
August 16, 2022
High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations
Steven Dajnowicz, Garvit Agarwal, James M Stevenson, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
April 4, 2023
Exploring the Effects of Wetting and Free Fatty Acid Deposition on an Atomistic Hair Fiber Surface Model Incorporating Keratin-Associated Protein 5-1
Jeffrey M Sanders, Benjamin J Coscia, Alexandr Fonari, et al.
Frontiers in Chemistry
|
May 22, 2020
Molecular Design Based on Donor-Weak Donor Scaffold for Blue Thermally-Activated Delayed Fluorescence Designed by Combinatorial DFT Calculations
Youichi Tsuchiya, Keita Tsuji, Ko Inada, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 4, 2023
Shearing friction behaviour of synthetic polymers compared to a functionalized polysaccharide on biomimetic surfaces: models for the prediction of performance of eco-designed formulations
Benjamin J Coscia, John C Shelley, Andrea R Browning, et al.
The Journal of Physical Chemistry. A
|
February 19, 2020
Massive Theoretical Screen of Hole Conducting Organic Materials in the Heteroacene Family by Using a Cloud-Computing Environment
Nobuyuki N Matsuzawa, Hideyuki Arai, Masaru Sasago, et al.
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of 4