scholarly journals Derivation of coarse-grained force fields for buckling-induced topological defects of liquid crystals

2021 ◽  
Vol 104 (2) ◽  
Author(s):  
Michiaki Sakamoto ◽  
Itsuo Hanasaki
Keyword(s):  
Liquid Crystals ◽  
Force Fields ◽  
Topological Defects ◽  
Coarse Grained

scholarly journals Properties of twisted topological defects in 2D nematic liquid crystals

Soft Matter ◽  
2021 ◽  
Author(s):  
Daniel Pearce ◽  
Karsten Kruse
Keyword(s):  
Liquid Crystals ◽  
Nematic Liquid Crystals ◽  
Topological Defects ◽  
Two Dimensional

Topological defects are one of the most conspicuous features of liquid crystals. In two dimensional nematics, they have been shown to behave effectively as particles with both, charge and orientation,...

Transferability of coarse-grained force fields: The polymer case

2008 ◽  
Vol 128 (6) ◽  
pp. 064904 ◽  
Author(s):  
Paola Carbone ◽  
Hossein Ali Karimi Varzaneh ◽  
Xiaoyu Chen ◽  
Florian Müller-Plathe
Keyword(s):  
Force Fields ◽  
Coarse Grained

scholarly journals A new protein nucleic-acid coarse-grained force field based on the UNRES and NARES-2P force fields

2018 ◽  
Vol 39 (28) ◽  
pp. 2360-2370 ◽  
Author(s):  
Adam K. Sieradzan ◽  
Artur Giełdoń ◽  
Yanping Yin ◽  
Yi He ◽  
Harold A. Scheraga ◽  
...  
Keyword(s):  
Nucleic Acid ◽  
Force Field ◽  
Force Fields ◽  
Coarse Grained ◽  
Protein Nucleic Acid ◽  
New Protein

Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields

2019 ◽  
Vol 59 (10) ◽  
pp. 4278-4288 ◽  
Author(s):  
James L. McDonagh ◽  
Ardita Shkurti ◽  
David J. Bray ◽  
Richard L. Anderson ◽  
Edward O. Pyzer-Knapp
Keyword(s):  
Machine Learning ◽  
Force Fields ◽  
Coarse Grained ◽  
Molecular Force

Effects of the asphaltene structure and the tetralin/heptane solvent ratio on the size and shape of asphaltene aggregates

2017 ◽  
Vol 19 (21) ◽  
pp. 13931-13940 ◽  
Author(s):  
Hwankyu Lee ◽  
Yong-Kul Lee
Keyword(s):  
Force Fields ◽  
Solvent Mixture ◽  
Coarse Grained ◽  
Solvent Ratio ◽  
Alkyl Chains ◽  
Size And Shape ◽  
Asphaltene Structure

Asphaltene molecules, which consist of differently hydrogenated polyaromatic cores grafted with side alkyl chains of different sizes and grafting densities, were simulated with a solvent mixture of heptane and tetralin using coarse-grained force fields.

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