E-LIB Suche - Ergebnisse für: Adam J. McSloy

1

Integrated workflows and interfaces for data-driven semi-em..:

Stishenko, Pavel ; McSloy, Adam ; Onat, Berk...
The Journal of Chemical Physics. 161 (2024) 1 - p. , 2024

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

2

Machine Learning Enhanced DFTB Method for Periodic Systems:..:

Sun, Wenbo ; Fan, Guozheng ; van der Heide, Tammo...
Journal of Chemical Theory and Computation. , 2023

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

3

Obtaining Electronic Properties of Molecules through Combin..:

Fan, Guozheng ; McSloy, Adam ; Aradi, Bálint..
The Journal of Physical Chemistry Letters. 13 (2022) 43 - p. 10132-10139 , 2022

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

4

Equivariant analytical mapping of first principles Hamilton..:

Zhang, Liwei ; Onat, Berk ; Dusson, Geneviève...
npj Computational Materials. 8 (2022) 1 - p. , 2022

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

5

Structure and ion transport of lithium-rich Li1+Al Ti2−(PO4..:

Case, David ; McSloy, Adam J. ; Sharpe, Ryan...
Solid State Ionics. 346 (2020) - p. 115192 , 2020

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

6

Mechanism of Carbon Dioxide and Water Incorporation in Ba2T..:

McSloy, Adam J. ; Trussov, Ivan ; Jarvis, Abbey...
The Journal of Physical Chemistry C. 122 (2018) 2 - p. 1061-1069 , 2018

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

7

A computational study of doped olivine structured Cd2GeO4: ..:

McSloy, Adam J. ; Kelly, Paul F. ; Slater, Peter R..
Physical Chemistry Chemical Physics. 18 (2016) 37 - p. 26284-26290 , 2016

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

8

TBMaLT, a flexible toolkit for combining tight-binding and ..:

McSloy Adam ; Fan Guozheng ; Sun Wenbo...
https://zenodo.org/record/8109578. , 2023

Link: https://zenodo.org/recor..

9

Equivariant analytical mapping of first principles Hamilton..:

Liwei Zhang ; Berk Onat ; Geneviève Dusson...
https://doi.org/10.1038/s41524-022-00843-2. , 2022

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

10

Equivariant analytical mapping of first principles Hamilton..:

Zhang, Liwei ; Onat, Berk ; Dusson, Geneviève...
info:eu-repo/grantAgreement/RCUK/EPSRC/EP%2FR043612%2F1/. , 2021

Link: https://zenodo.org/recor..

11

Equivariant analytical mapping of first principles Hamilton..:

Zhang, Liwei ; Onat, Berk ; Dusson, Geneviève...
http://arxiv.org/abs/2111.13736. , 2021

Link: http://arxiv.org/abs/211..

12

Structure and ion transport of lithium-rich Li1+xAlxTi2−x(P..:

David Case ; Adam McSloy ; Ryan Sharpe...
2134/11655825.v1. , 2020

Link: https://figshare.com/art..

13

AI3SD Project: Deep-Learning-Enhanced Quantum Chemistry: Pu..:

McSloy, Adam ; Maurer, Reinhard J
https://eprints.soton.ac.uk/446273/1/AI3SD_Project_Series_Report_2_Maurer_FinalReport.pdf. , 2020

Link: https://eprints.soton.ac..

14

Mechanism of carbon dioxide and water incorporation in Ba2T..:

Adam J. McSloy ; Ivan Trussov ; Abbey Jarvis...
2134/32260. , 2018

Link: https://figshare.com/art..

15

Mechanism of Carbon Dioxide and Water Incorporation in Ba 2..:

McSloy, Adam J ; Trussov, Ivan ; Jarvis, Abbey...
McSloy , A J , Trussov , I , Jarvis , A , Cooke , D J , Slater , P R & Panchmatia , P M 2018 , ' Mechanism of Carbon Dioxide and Water Incorporation in Ba 2 TiO 4 : A Joint Computational and Experimental Study ' , Journal of Physical Chemistry C , vol. 122 , no. 2 , pp. 1061-1069 . https://doi.org/10.1021/acs.jpcc.7b10330. , 2018

Link: https://pure.hud.ac.uk/e..