E-LIB Suche - Ergebnisse für: Monroe, Jacob I.

1

Grand challenges in membrane transport, modeling and simula..:

Monroe, Jacob I. ; Thamaraiselvan, Chidambaram ; Wickramasinghe, S. Ranil
Frontiers in Membrane Science and Technology. 2 (2024) - p. , 2024

Link: https://doi.org/10.3389/..

2

Leveraging uncertainty estimates and derivative information..:

Monroe, Jacob I. ; Krekelberg, William P. ; McDannald, Austin.
The Journal of Chemical Physics. 158 (2023) 16 - p. , 2023

Link: https://doi.org/10.1063/..

3

Classification and authentication of materials using prompt..:

Mahynski, Nathan A. ; Monroe, Jacob I. ; Sheen, David A....
Journal of Radioanalytical and Nuclear Chemistry. 332 (2023) 8 - p. 3259-3271 , 2023

Link: https://doi.org/10.1007/..

4

Learning Efficient, Collective Monte Carlo Moves with Varia..:

Monroe, Jacob I. ; Shen, Vincent K.
Journal of Chemical Theory and Computation. 18 (2022) 6 - p. 3622-3636 , 2022

Link: https://doi.org/10.1021/..

5

Systematic control of collective variables learned from var..:

Monroe, Jacob I. ; Shen, Vincent K.
The Journal of Chemical Physics. 157 (2022) 9 - p. , 2022

Link: https://doi.org/10.1063/..

6

Evidence for Entropically Controlled Interfacial Hydration ..:

Moon, Hyunjin ; Collanton, Ryan P. ; Monroe, Jacob I....
Journal of the American Chemical Society. 144 (2022) 4 - p. 1766-1777 , 2022

Link: https://doi.org/10.1021/..

7

Quantifying Polypeptoid Conformational Landscapes through I..:

Jiao, Sally ; DeStefano, Audra ; Monroe, Jacob I....
Macromolecules. 54 (2021) 11 - p. 5011-5021 , 2021

Link: https://doi.org/10.1021/..

8

Extrapolation and interpolation strategies for efficiently ..:

Monroe, Jacob I. ; Hatch, Harold W. ; Mahynski, Nathan A...
The Journal of Chemical Physics. 153 (2020) 14 - p. , 2020

Link: https://doi.org/10.1063/..

9

Performing solvation free energy calculations in LAMMPS usi..:

Khanna, Vikram ; Monroe, Jacob I. ; Doherty, Michael F..
Journal of Computer-Aided Molecular Design. 34 (2020) 6 - p. 641-646 , 2020

Link: https://doi.org/10.1007/..

10

Affinity of small-molecule solutes to hydrophobic, hydrophi..:

Monroe, Jacob I. ; Jiao, Sally ; Davis, R. Justin...
Proceedings of the National Academy of Sciences. 118 (2020) 1 - p. , 2020

Link: https://doi.org/10.1073/..

11

Decoding signatures of structure, bulk thermodynamics, and ..:

Monroe, Jacob I. ; Shell, M. Scott
The Journal of Chemical Physics. 151 (2019) 9 - p. , 2019

Link: https://doi.org/10.1063/..

12

Computational discovery of chemically patterned surfaces th..:

Monroe, Jacob I. ; Shell, M. Scott
Proceedings of the National Academy of Sciences. 115 (2018) 32 - p. 8093-8098 , 2018

Link: https://doi.org/10.1073/..

13

Surface chemical heterogeneity modulates silica surface hyd..:

Schrader, Alex M. ; Monroe, Jacob I. ; Sheil, Ryan...
Proceedings of the National Academy of Sciences. 115 (2018) 12 - p. 2890-2895 , 2018

Link: https://doi.org/10.1073/..

14

Computational discovery of chemically patterned surfaces th..:

Monroe, Jacob I. ; Shell, M. Scott
Proceedings of the National Academy of Sciences of the United States of America. 115 (2018) 32 - p. 8093-8098 , 2018

Link: https://www.jstor.org/st..

15

Surface chemical heterogeneity modulates silica surface hyd..:

Schrader, Alex M. ; Monroe, Jacob I. ; Sheil, Ryan...
Proceedings of the National Academy of Sciences of the United States of America. 115 (2018) 12 - p. 2890-2895 , 2018

Link: https://www.jstor.org/st..