E-LIB Suche - Ergebnisse für: Halls, Mathew D.

1

Advancing material property prediction: using physics-infor..:

Chew, Alex K. ; Sender, Matthew ; Kaplan, Zachary...
Journal of Cheminformatics. 16 (2024) 1 - p. , 2024

2

Robust and effective ab initio molecular dynamics simulatio..:

Fonari, Alexandr ; Agarwal, Garvit ; Tiwari, Subodh C....
Computational Materials Science. 244 (2024) - p. 113188 , 2024

Link: https://doi.org/10.1016/..

3

Nanoscale Simulation of Plastic Contaminants Migration in P..:

Mileo, Paulo G. M. ; Krauter, Caroline M. ; Sanders, Jeffrey M....
Langmuir. 40 (2024) 24 - p. 12475-12487 , 2024

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

4

Highly efficient implementation of analytic nonadiabatic de..:

Cao, Yixiang ; Halls, Mathew D. ; Friesner, Richard A.
The Journal of Chemical Physics. 160 (2024) 8 - p. , 2024

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

5

Physics-based molecular modeling of biosurfactants:

Coscia, Benjamin J. ; Browning, Andrea R. ; Sanders, Jeffrey M..
Current Opinion in Colloid & Interface Science. 68 (2023) - p. 101760 , 2023

Link: https://doi.org/10.1016/..

6

33‐4: Supramolecules in Thin Films and OLED Efficiencies:

Abroshan, Hadi ; Winget, Paul ; Kwak, Shaun..
SID Symposium Digest of Technical Papers. 54 (2023) 1 - p. 481-484 , 2023

Link: https://doi.org/10.1002/..

7

Molecular-Scale Exploration of Mechanical Properties and In..:

Mileo, Paulo G. M. ; Krauter, Caroline M. ; Sanders, Jeffrey M...
ACS Omega. 8 (2023) 45 - p. 42417-42428 , 2023

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

8

57‐1: Accelerating Next‐Generation Display Materials Develo..:

Winget, Paul ; Kwak, Shaun ; Abroshan, Hadi...
SID Symposium Digest of Technical Papers. 54 (2023) 1 - p. 818-821 , 2023

Link: https://doi.org/10.1002/..

9

Development of scalable and generalizable machine learned f..:

Mohanty, Shaswat ; Stevenson, James ; Browning, Andrea R....
Scientific Reports. 13 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

10

Shearing friction behaviour of synthetic polymers compared ..:

Coscia, Benjamin J. ; Shelley, John C. ; Browning, Andrea R....
Physical Chemistry Chemical Physics. 25 (2023) 3 - p. 1768-1780 , 2023

Link: https://doi.org/10.1039/..

11

39.2: Invited Paper: First, Faster, Further: Competitive Ad..:

Winget, Paul ; Kwak, H. Shaun ; Dub, Pavel...
SID Symposium Digest of Technical Papers. 54 (2023) S1 - p. 254-257 , 2023

Link: https://doi.org/10.1002/..

12

Editorial: Driving Innovation in Organic Optoelectronic Mat..:

Winget, Paul ; Halls, Mathew D. ; Gómez-Bombarelli, Rafael.
Frontiers in Chemistry. 10 (2022) - p. , 2022

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

13

High-Dimensional Neural Network Potential for Liquid Electr..:

Dajnowicz, Steven ; Agarwal, Garvit ; Stevenson, James M....
The Journal of Physical Chemistry B. 126 (2022) 33 - p. 6271-6280 , 2022

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

14

Design of Organic Electronic Materials With a Goal-Directed..:

Kwak, H. Shaun ; An, Yuling ; Giesen, David J....
Frontiers in Chemistry. 9 (2022) - p. , 2022

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

15

P‐130: Organic Thin Films for OLED Applications: Simulating..:

Winget, Paul ; Kwak, H. Shaun ; Brown, Christopher T....
SID Symposium Digest of Technical Papers. 53 (2022) 1 - p. 1499-1502 , 2022

Link: https://doi.org/10.1002/..