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1

Origin of the transition entropy in vanadium dioxide

Mellan, Thomas A., Wang, Hao, Schwingenschlögl, Udo, Grau-Crespo, Ricardo

Journal:

Physical Review B

Year:

2019

Language:

english

File:

PDF, 1.85 MB

english, 2019

2

Electron and phonon interactions and transport in the ultrahigh-temperature ceramic ZrC

Mellan, Thomas A., Aziz, Alex, Xia, Yi, Grau-Crespo, Ricardo, Duff, Andrew I.

Journal:

Physical Review B

Year:

2019

File:

PDF, 2.24 MB

2019

3

Electron and phonon interactions and transport in the ultrahigh-temperature ceramic ZrC

Mellan, Thomas A., Aziz, Alex, Xia, Yi, Grau-Crespo, Ricardo, Duff, Andrew I.

Journal:

Physical Review B

Year:

2019

Language:

english

File:

PDF, 2.24 MB

english, 2019

4

The effectiveness of reference-free modified embedded atom method potentials demonstrated for NiTi and NbMoTaW

Srinivasan, Prashanth, Duff, Andrew I, Mellan, Thomas A, Sluiter, Marcel H F, Nicola, Lucia, Simone, Angelo

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2019

Language:

english

File:

PDF, 1.05 MB

english, 2019

5

Fast anharmonic free energy method with an application to vacancies in ZrC

Mellan, Thomas A., Duff, Andrew I., Grabowski, Blazej, Finnis, Michael W.

Journal:

Physical Review B

Year:

2019

Language:

english

File:

PDF, 2.03 MB

english, 2019

6

Inference of COVID-19 epidemiological distributions from Brazilian hospital data

Hawryluk, Iwona, Mellan, Thomas A., Hoeltgebaum, Henrique, Mishra, Swapnil, Schnekenberg, Ricardo P., Whittaker, Charles, Zhu, Harrison, Gandy, Axel, Donnelly, Christl A., Flaxman, Seth, Bhatt, Samir

Journal:

Journal of The Royal Society Interface

Year:

2020

File:

PDF, 1.24 MB

2020

7

Lithium and oxygen adsorption at the β-MnO2 (110) surface

Mellan, Thomas A., Maenetja, Khomotso P., Ngoepe, Phuti E., Woodley, Scott M., Catlow, C. Richard A., Grau-Crespo, Ricardo

Journal:

Journal of Materials Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.29 MB

english, 2013

8

Atomistic modeling approach to the thermodynamics of sodium silicate glasses

Fossati, Paul C. M., Mellan, Thomas A., Kuganathan, Navaratnarajah, Lee, William E.

Journal:

Journal of the American Ceramic Society

Year:

2020

File:

PDF, 1.34 MB

2020

9

State-level tracking of COVID-19 in the United States

Unwin, H. Juliette T., Mishra, Swapnil, Bradley, Valerie C., Gandy, Axel, Mellan, Thomas A., Coupland, Helen, Ish-Horowicz, Jonathan, Vollmer, Michaela A. C., Whittaker, Charles, Filippi, Sarah L., Xi

Journal:

Nature Communications

Year:

2020

File:

PDF, 1.35 MB

2020

10

Evolution and epidemic spread of SARS-CoV-2 in Brazil

Candido, Darlan S., Claro, Ingra M., de Jesus, Jaqueline G., Souza, William M., Moreira, Filipe R. R., Dellicour, Simon, Mellan, Thomas A., du Plessis, Louis, Pereira, Rafael H. M., Sales, Flavia C. S

Journal:

Year:

2020

File:

PDF, 5.37 MB

2020

11

Density functional theory study of rutile VO2 surfaces

Mellan, Thomas A., Grau-Crespo, Ricardo

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.37 MB

english, 2012

12

[ACM Press the 41st annual conference - San Diego, CA, USA (2004.06.07-2004.06.11)] Proceedings of the 41st annual conference on Design automation - DAC '04 - High level cache simulation for heterogeneous multiprocessors

Pieper, Joshua J., Mellan, Alain, Paul, JoAnn M., Thomas, Donald E., Karim, Faraydon

Year:

2004

Language:

english

File:

PDF, 204 KB

english, 2004

13

Spontaneous Frenkel pair formation in zirconium carbide

Mellan, Thomas A., Duff, Andrew I., Finnis, Michael W.

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 3.05 MB

english, 2018

14

Importance of anisotropic Coulomb interaction in

Mellan, Thomas A., Corà, Furio, Grau-Crespo, Ricardo, Ismail-Beigi, Sohrab

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 2.10 MB

english, 2015

15

Spin polarization, orbital occupation and band gap opening in vanadium dioxide: The effect of screened Hartree–Fock exchange

Wang, Hao, Mellan, Thomas A., Grau-Crespo, Ricardo, Schwingenschlögl, Udo

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 519 KB

english, 2014

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