Wimmer E - Search Results

1

Ab initio calculations for industrial materials engineering: successes and challenges.

Wimmer E, Najafabadi R, Young GA Jr, Ballard JD, Angeliu TM, Vollmer J, Chambers JJ, Niimi H, Shaw JB, Freeman C, Christensen M, Wolf W, Saxe P. Wimmer E, et al. J Phys Condens Matter. 2010 Sep 29;22(38):384215. doi: 10.1088/0953-8984/22/38/384215. Epub 2010 Sep 7. J Phys Condens Matter. 2010. PMID: 21386549

2

H in α-Zr and in zirconium hydrides: solubility, effect on dimensional changes, and the role of defects.

Christensen M, Wolf W, Freeman C, Wimmer E, Adamson RB, Hallstadius L, Cantonwine PE, Mader EV. Christensen M, et al. Among authors: wimmer e. J Phys Condens Matter. 2015 Jan 21;27(2):025402. doi: 10.1088/0953-8984/27/2/025402. Epub 2014 Dec 15. J Phys Condens Matter. 2015. PMID: 25501106

3

Summary of workshop 'Theory Meets Industry'-the impact of ab initio solid state calculations on industrial materials research.

Wimmer E. Wimmer E. J Phys Condens Matter. 2008 Feb 13;20(6):064243. doi: 10.1088/0953-8984/20/6/064243. Epub 2008 Jan 24. J Phys Condens Matter. 2008. PMID: 21693904

4

Selected contributions from the 3rd Theory Meets Industry International Workshop, TMI2009 (Nagoya, Japan, 11-13 November 2009).

Tanaka I, Hafner J, Wimmer E, Asahi R. Tanaka I, et al. Among authors: wimmer e. J Phys Condens Matter. 2010 Sep 29;22(38):380301. doi: 10.1088/0953-8984/22/38/380301. Epub 2010 Sep 2. J Phys Condens Matter. 2010. PMID: 21386363 No abstract available.

5

Ab initio parameterization of a charge optimized many-body forcefield for Si-SiO2: Validation and thermal transport in nanostructures.

France-Lanord A, Soukiassian P, Glattli C, Wimmer E. France-Lanord A, et al. Among authors: wimmer e. J Chem Phys. 2016 Mar 14;144(10):104705. doi: 10.1063/1.4943396. J Chem Phys. 2016. PMID: 26979702

6

Highly efficient evaluation of diffusion networks in Li ionic conductors using a 3D-corrugation descriptor.

France-Lanord A, Asahi R, Leblanc B, Lee J, Wimmer E. France-Lanord A, et al. Among authors: wimmer e. Sci Rep. 2019 Oct 22;9(1):15123. doi: 10.1038/s41598-019-51585-z. Sci Rep. 2019. PMID: 31641167 Free PMC article.

7

Adsorbate-induced shifts of electronic surface states: Cs on the (100) faces of tungsten, molybdenum, and tantalum.

Soukiassian P, Riwan R, Lecante J, Wimmer E, Chubb SR, Freeman AJ. Soukiassian P, et al. Among authors: wimmer e. Phys Rev B Condens Matter. 1985 Apr 15;31(8):4911-4923. doi: 10.1103/physrevb.31.4911. Phys Rev B Condens Matter. 1985. PMID: 9936452 No abstract available.

8

Quantitative Kinetic Model of CO₂ Absorption in Aqueous Tertiary Amine Solvents.

Rozanska X, Wimmer E, de Meyer F. Rozanska X, et al. Among authors: wimmer e. J Chem Inf Model. 2021 Apr 26;61(4):1814-1824. doi: 10.1021/acs.jcim.0c01386. Epub 2021 Mar 12. J Chem Inf Model. 2021. PMID: 33709702

9

Surface electronic structure of CeN.

Norman MR, Wimmer E, Freeman AJ. Norman MR, et al. Among authors: wimmer e. Phys Rev B Condens Matter. 1985 Dec 15;32(12):7830-7834. doi: 10.1103/physrevb.32.7830. Phys Rev B Condens Matter. 1985. PMID: 9936955 No abstract available.

10

All-electron local-density-functional theory of alkali-metal adsorption on transition-metal surfaces: Cs on Mo(001).

Chubb SR, Wimmer E, Freeman AJ, Hiskes JR, Karo AM. Chubb SR, et al. Among authors: wimmer e. Phys Rev B Condens Matter. 1987 Sep 15;36(8):4112-4122. doi: 10.1103/physrevb.36.4112. Phys Rev B Condens Matter. 1987. PMID: 9943389 No abstract available.

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