Subject: Chemistry , Working Paper , Title: ∆-Learning for Coarse-Grained Potentials , Authors: Aditi Khot, Brett Savoie Version 1 posted 27 March 2023 Show abstract Download 772 Downloads 1 Citations
Subject: Chemistry , Working Paper , Title: Neural potentials of proteins extrapolate beyond training data , Authors: Geemi P. Wellawatte, Glen M. Hocky, Andrew D. White Version 3 posted 04 May 2023 Show abstract Download 1,396 Downloads 1 Citations
Subject: Chemistry , Working Paper , Title: Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations of PEG-water mixtures , Authors: Simon Gravelle, David Beyer, Mariano Brito, Alexander Schlaich, Christian Holm Version 4 posted 02 June 2023 Show abstract Download 1,208 Downloads
Subject: Chemistry , Working Paper , Title: Coarse-grained molecular models of the surface of hair , Authors: Erik Weiand, James P. Ewen, Peter H. Koenig, Yuri Roiter, Steven H. Page, Stefano Angioletti-Uberti, Daniele Dini Version 1 posted 16 December 2021 Show abstract Download 709 Downloads
Subject: Chemistry , Review , Title: Bringing Quantum Mechanics to Coarse-Grained Soft Materials Modeling , Authors: Chun-I Wang, Nicholas Jackson Version 1 posted 29 December 2022 Show abstract Download 757 Downloads
Subject: Chemistry , Working Paper , Title: Construction of Multi-Scale Dissipative Particle Dynamics (DPD) Models from other Coarse-Grained Models , Authors: Yinhan Wang, Rigoberto Hernandez Version 1 posted 24 January 2024 Show abstract Download 539 Downloads
Subject: Chemistry , Working Paper , Title: Accessing the Electronic Structure of Liquid Crystalline Semiconductors with Bottom-Up Electronic Coarse-Graining , Authors: Chun-I Wang, Charlie Maier, Nicholas Jackson Version 1 posted 18 December 2023 Show abstract Download 382 Downloads
Subject: Chemistry , Working Paper , Title: Can a Coarse-grained Water Model Capture the Key Physical Features of the Hydrophobic Effect? , Authors: Kuntal Ghosh, Timothy Loose, Gregory Voth Version 2 posted 20 November 2023 Show abstract Download 894 Downloads
Subject: Chemistry , Working Paper , Title: Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes , Authors: Charlie Maier, Nicholas Jackson Version 1 posted 30 May 2022 Show abstract Download 401 Downloads
Subject: Chemistry , Working Paper , Title: Identifying Coarse-Grained Representations for Electronic Predictions , Authors: Chun-I Wang, Charlie Maier, Nicholas Jackson Version 1 posted 27 April 2023 Show abstract Download 400 Downloads
