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Materials Science

Working Paper

Supramolecular Semiconductivity through Emerging Ionic Gates in Ion-Nanoparticle Superlattices

Chiara Lionello, Claudio Perego, Andrea Gardin, Rafal Klajn, Giovanni M. Pavan

Version 1 posted 28 July 2022

295

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1

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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

300

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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

234

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Theoretical and Computational Chemistry

Working Paper

OpenMSCG: A Software Tool for Bottom-up Coarse-graining

Yuxing Peng, Alexander J. Pak, Aleksander E. P. Durumeric, Patrick G. Sahrmann, Sriramvignesh Mani, Jaehyeok Jin, Timothy D. Loose, Jeriann R. Beiter, Gregory A. Voth

Version 1 posted 11 July 2023

423

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1

Citations

Theoretical and Computational Chemistry

Working Paper

∆-Learning for Coarse-Grained Potentials

Aditi Khot, Brett Savoie

Version 1 posted 27 March 2023

432

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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

293

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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

186

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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

306

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1

Citations

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

451

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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

908

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1

Citations

Refine Search

16 results in Coarse-graining in Keywords: Coarse-graining

Supramolecular Semiconductivity through Emerging Ionic Gates in Ion-Nanoparticle Superlattices

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

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

OpenMSCG: A Software Tool for Bottom-up Coarse-graining

∆-Learning for Coarse-Grained Potentials

Bringing Quantum Mechanics to Coarse-Grained Soft Materials Modeling

Identifying Coarse-Grained Representations for Electronic Predictions

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

Coarse-grained molecular models of the surface of hair

Neural potentials of proteins extrapolate beyond training data

16 results in Keywords: Coarse-graining