E-LIB Suche - Ergebnisse für: Womack, James C

1

Intercalation voltages for spinel LixMn2O4 (0≤x≤2) cathode ..:

Ledwaba, Raesibe S. ; Womack, James C. ; Skylaris, Chris -Kriton.
Materials Today Communications. 27 (2021) - p. 102380 , 2021

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

2

Massively parallel linear-scaling Hartree–Fock exchange and..:

Dziedzic, Jacek ; Womack, James C. ; Ali, Rozh.
The Journal of Chemical Physics. 155 (2021) 22 - p. , 2021

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

3

Practical Approach to Large-Scale Electronic Structure Calc..:

Dziedzic, Jacek ; Bhandari, Arihant ; Anton, Lucian...
The Journal of Physical Chemistry C. 124 (2020) 14 - p. 7860-7872 , 2020

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

4

The ONETEP linear-scaling density functional theory program:

Prentice, Joseph C. A. ; Aarons, Jolyon ; Womack, James C....
The Journal of Chemical Physics. 152 (2020) 17 - p. , 2020

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

5

DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann S..:

Womack, James C. ; Anton, Lucian ; Dziedzic, Jacek...
Journal of Chemical Theory and Computation. 14 (2018) 3 - p. 1412-1432 , 2018

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

6

Electronically Excited States in Solution via a Smooth Diel..:

Howard, J. Coleman ; Womack, James C. ; Dziedzic, Jacek...
Journal of Chemical Theory and Computation. 13 (2017) 11 - p. 5572-5581 , 2017

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

7

Self-consistent implementation of meta-GGA functionals for ..:

Womack, James C. ; Mardirossian, Narbe ; Head-Gordon, Martin.
The Journal of Chemical Physics. 145 (2016) 20 - p. , 2016

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

8

Use of the rVV10 Nonlocal Correlation Functional in the B97..:

Mardirossian, Narbe ; Ruiz Pestana, Luis ; Womack, James C....
The Journal of Physical Chemistry Letters. 8 (2016) 1 - p. 35-40 , 2016

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

9

Density fitting for three-electron integrals in explicitly ..:

Womack, James C. ; Manby, Frederick R.
The Journal of Chemical Physics. 140 (2014) 4 - p. , 2014

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

10

The ONETEP linear-scaling density functional theory program:

Prentice, Joseph CA ; Aarons, Jolyon ; Womack, James C...
https://www.repository.cam.ac.uk/handle/1810/336388. , 2022

Link: https://www.repository.c..

11

Intercalation voltages for spinel LixMn2O4 (0≤x≤2) cathode ..:

Ledwaba, Raesibe S ; Womack, James C ; Skylaris, Chris-Kriton.
https://eprints.soton.ac.uk/451007/1/MTCOMM_S_21_01045.pdf. , 2021

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

12

The ONETEP linear-scaling density functional theory program:

Prentice, Joseph C. A ; Aarons, Jolyon ; Womack, James C...
boreal:240283. , 2020

Link: http://hdl.handle.net/20..

13

The ONETEP linear-scaling density functional theory program:

Prentice, Joseph C. A ; Aarons, Jolyon ; Womack, James C...
boreal:240283. , 2020

Link: http://hdl.handle.net/20..

14

The ONETEP linear-scaling density functional theory program:

Prentice, Joseph C. A ; Aarons, Jolyon ; Womack, James C...
boreal:240284. , 2020

Link: http://hdl.handle.net/20..

15

Electron localisation descriptors in ONETEP: a tool for int..:

Clements, Rebecca J ; Womack, James C ; Skylaris, Chris-Kriton
https://eprints.soton.ac.uk/443467/1/Clements_2020_Electron._Struct._2_027001.pdf. , 2020

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