Publications

Filters: Author is Monroe, Jacob I  [Clear All Filters]
A B C D E F G H I J K L M N O P Q R S T U V W X Y Z 
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.
P
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.
Q
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.
U
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.

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.

 

User Agreement

Click here to see important user agreement.  Non-compliance will result in suspension of your CSC account.