Publications

Filters: Author is Monroe, Jacob I  [Clear All Filters]
Journal Article
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.
Jiao S, DeStefano A, Monroe JI, Barry M, Sherck N, Casey T, Segalman RA, Han S, M Shell S.  2021.  Quantifying Polypeptoid Conformational Landscapes through Integrated Experiment and Simulation. Macromolecules.
Khanna V, Monroe JI, Doherty MF, Peters B.  2020.  Performing solvation free energy calculations in LAMMPS using the decoupling approach. Journal of Computer-Aided Molecular Design. :1–6.
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

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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.

 

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