E-LIB Suche - Ergebnisse für: Smith, Daniel G. A.

1

Electrophysiological biomarkers and age characterize phenot..:

Key, Alexandra P. ; Thornton-Wells, Tricia A. ; Smith, Daniel G.
Frontiers in Human Neuroscience. 16 (2023) - p. , 2023

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

2

A study to determine the mechanisms underlying changes in s..:

Chang, Ya Yin ; King, Declan ; Holt, Kristjan...
Alzheimer's & Dementia. 19 (2023) S24 - p. , 2023

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

3

MBX: A many-body energy and force calculator for data-drive..:

Riera, Marc ; Knight, Christopher ; Bull-Vulpe, Ethan F....
The Journal of Chemical Physics. 159 (2023) 5 - p. , 2023

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

4

Implementation of symmetry-adapted perturbation theory base..:

Xie, Yi ; Smith, Daniel G. A. ; Sherrill, C. David
The Journal of Chemical Physics. 157 (2022) 2 - p. , 2022

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

5

Quantum Chemistry Common Driver and Databases (QCDB) and Qu..:

Smith, Daniel G. A. ; Lolinco, Annabelle T. ; Glick, Zachary L....
The Journal of Chemical Physics. 155 (2021) 20 - p. , 2021

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

6

Optimized damping parameters for empirical dispersion corre..:

Schriber, Jeffrey B. ; Sirianni, Dominic A. ; Smith, Daniel G. A....
The Journal of Chemical Physics. 154 (2021) 23 - p. , 2021

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

7

OrbNet Denali: A machine learning potential for biological ..:

Christensen, Anders S. ; Sirumalla, Sai Krishna ; Qiao, Zhuoran...
The Journal of Chemical Physics. 155 (2021) 20 - p. , 2021

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

8

Efficient and automated computation of accurate molecular g..:

Warden, Constance E. ; Smith, Daniel G. A. ; Burns, Lori A...
The Journal of Chemical Physics. 152 (2020) 12 - p. , 2020

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

9

Driving torsion scans with wavefront propagation:

Qiu, Yudong ; Smith, Daniel G. A. ; Stern, Chaya D....
The Journal of Chemical Physics. 152 (2020) 24 - p. 244116 , 2020

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

10

The MolSSI QCArchive project: An open‐source platform to co..:

Smith, Daniel G. A. ; Altarawy, Doaa ; Burns, Lori A....
WIREs Computational Molecular Science. 11 (2020) 2 - p. , 2020

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

11

PSI4 1.4: Open-source software for high-throughput quantum ..:

Smith, Daniel G. A. ; Burns, Lori A. ; Simmonett, Andrew C....
The Journal of Chemical Physics. 152 (2020) 18 - p. , 2020

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

12

PES-Learn: An Open-Source Software Package for the Automate..:

Abbott, Adam S. ; Turney, Justin M. ; Zhang, Boyi...
Journal of Chemical Theory and Computation. 15 (2019) 8 - p. 4386-4398 , 2019

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

13

Sharing Data from Molecular Simulations:

Abraham, Mark ; Apostolov, Rossen ; Barnoud, Jonathan...
Journal of Chemical Information and Modeling. 59 (2019) 10 - p. 4093-4099 , 2019

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

14

Stochastic resolution of identity second-order Matsubara Gr..:

Takeshita, Tyler Y. ; Dou, Wenjie ; Smith, Daniel G. A....
The Journal of Chemical Physics. 151 (2019) 4 - p. , 2019

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

15

Digital phenotyping approaches and mobile devices enhance C..:

Smith, Daniel G.
Neuropsychopharmacology. 43 (2018) 13 - p. 2504-2505 , 2018

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