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Nanoscience

Working Paper

Coarse-grained molecular models of the surface of hair

Erik Weiand, James P. Ewen, Peter H. Koenig, Yuri Roiter, Steven H. Page, Stefano Angioletti-Uberti, Daniele Dini

Version 1 posted 16 December 2021

479

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Physical Chemistry

Working Paper

Towards Chemotactic Supramolecular Nanoparticles: From Autonomous Surface Motion Following Specific Chemical Gradients to Multivalency-Controlled Disassembly

Chiara Lionello, Andrea Gardin, Annalisa Cardellini, Davide Bochicchio, Manisha Shivrayan, Ann Fernandez, S Thayumanavan, Giovanni M. Pavan

Version 1 posted 14 June 2021

345

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1

Citations

Physical Chemistry

Working Paper

Martini 3 Coarse-Grained Force Field: Small Molecules

Riccardo Alessandri, Jonathan Barnoud, Anders S. Gertsen, Ilias Patmanidis, Alex H. de Vries, Paulo C. T. Souza, Siewert J. Marrink

Version 1 posted 19 July 2021

5,073

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Theoretical and Computational Chemistry

Working Paper

∆-Learning for Coarse-Grained Potentials

Aditi Khot, Brett Savoie

Version 1 posted 27 March 2023

521

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Physical Chemistry

Review

Bringing Quantum Mechanics to Coarse-Grained Soft Materials Modeling

Chun-I Wang, Nicholas Jackson

Version 1 posted 29 December 2022

345

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Theoretical and Computational Chemistry

Working Paper

Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes

Charlie Maier, Nicholas Jackson

Version 1 posted 30 May 2022

270

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Physical Chemistry

Working Paper

Effects of Surfactant Adsorption on the Wettability and Friction of Biomimetic Surfaces

Erik Weiand, Francisco Rodriguez-Ropero, Yuri Roiter, Peter H. König, Stefano Angioletti-Uberti, Daniele Dini, James P. Ewen

Version 1 posted 02 June 2023

370

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Theoretical and Computational Chemistry

Working Paper

Identifying Coarse-Grained Representations for Electronic Predictions

Chun-I Wang, Charlie Maier, Nicholas Jackson

Version 1 posted 27 April 2023

228

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Theoretical and Computational Chemistry

Working Paper

Neural potentials of proteins extrapolate beyond training data

Geemi P. Wellawatte, Glen M. Hocky, Andrew D. White

Version 3 posted 04 May 2023

1,048

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Structural Coarse-Graining via Multi-Objective Optimization with Differentiable Simulation

Zhenghao Wu, Tianhang Zhou

Version 2 posted 12 December 2023

317

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Refine Search

17 results in Coarse-Graining in Keywords: Coarse-Graining

Coarse-grained molecular models of the surface of hair

Towards Chemotactic Supramolecular Nanoparticles: From Autonomous Surface Motion Following Specific Chemical Gradients to Multivalency-Controlled Disassembly

Martini 3 Coarse-Grained Force Field: Small Molecules

∆-Learning for Coarse-Grained Potentials

Bringing Quantum Mechanics to Coarse-Grained Soft Materials Modeling

Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes

Effects of Surfactant Adsorption on the Wettability and Friction of Biomimetic Surfaces

Identifying Coarse-Grained Representations for Electronic Predictions

Neural potentials of proteins extrapolate beyond training data

Structural Coarse-Graining via Multi-Objective Optimization with Differentiable Simulation

17 results in Keywords: Coarse-Graining