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Stock P, Monroe JI, Utzig T, Smith DJ, M Shell S, Valtiner M. 2017. Unraveling Hydrophobic Interactions at the Molecular Scale Using Force Spectroscopy and Molecular Dynamics Simulations. ACS nano. 11:2586–2597.

M

Petsev ND, L Leal G, M Shell S. 2016. Multiscale simulation of ideal mixtures using smoothed dissipative particle dynamics. Journal of Chemical Physics. 144(8):8.

Kulkarni PM, Fu C-C, M Shell S, L Leal G. 2013. Multiscale modeling with smoothed dissipative particle dynamics. The Journal of chemical physics. 138:234105.

L

Shen K, Sherck N, Nguyen M, Yoo B, Köhler S, Speros J, Delaney KT, Fredrickson GH, M Shell S. 2020. Learning composition-transferable coarse-grained models: Designing external potential ensembles to maximize thermodynamic information. The Journal of Chemical Physics. 153:154116.

H

Petsev ND, L Leal G, M Shell S. 2015. Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics. The Journal of Chemical Physics. 142:044101.

Sanyal T, Mittal J, M Shell S. 2019. A hybrid, bottom-up, structurally accurate, G o\=-like coarse-grained protein model. The Journal of chemical physics. 151:044111.

E

Carmichael SP, M Shell S. 2015. Entropic (de) stabilization of surface-bound peptides conjugated with polymers. The Journal of Chemical Physics. 143:243103.

Sherck N, Webber T, Brown DRobinson, Keller T, Barry M, DeStefano A, Jiao S, Segalman RA, Fredrickson GH, M Shell S et al.. 2020. End-to-End Distance Probability Distributions of Dilute Poly (ethylene oxide) in Aqueous Solution. Journal of the American Chemical Society.

D

Monroe JI, M Shell S. 2019. Decoding signatures of structure, bulk thermodynamics, and solvation in three-body angle distributions of rigid water models. The Journal of chemical physics. 151:094501.

Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.