Schulthess T - Search Results

1

All-electron APW+lo calculation of magnetic molecules with the SIRIUS domain-specific package.

Zhang L, Kozhevnikov A, Schulthess T, Trickey SB, Cheng HP. Zhang L, et al. Among authors: schulthess t. J Chem Phys. 2023 Jun 21;158(23):234801. doi: 10.1063/5.0139497. J Chem Phys. 2023. PMID: 37326162

2

Lessons learned from urgent computing in Europe: Tackling the COVID-19 pandemic.

López N, Del Debbio L, Baaden M, Praprotnik M, Grigori L, Simões C, Bogaerts S, Berberich F, Lippert T, Ignatius J, Lavocat P, Pineda O, Giuffreda MG, Girona S, Kranzlmüller D, Resch MM, Scipione G, Schulthess T. López N, et al. Among authors: schulthess t. Proc Natl Acad Sci U S A. 2021 Nov 16;118(46):e2024891118. doi: 10.1073/pnas.2024891118. Proc Natl Acad Sci U S A. 2021. PMID: 34772803 Free PMC article.

3

The digital revolution of Earth-system science.

Bauer P, Dueben PD, Hoefler T, Quintino T, Schulthess TC, Wedi NP. Bauer P, et al. Among authors: schulthess tc. Nat Comput Sci. 2021 Feb;1(2):104-113. doi: 10.1038/s43588-021-00023-0. Epub 2021 Feb 22. Nat Comput Sci. 2021. PMID: 38217224 Review.

4

Materials Cloud, a platform for open computational science.

Talirz L, Kumbhar S, Passaro E, Yakutovich AV, Granata V, Gargiulo F, Borelli M, Uhrin M, Huber SP, Zoupanos S, Adorf CS, Andersen CW, Schütt O, Pignedoli CA, Passerone D, VandeVondele J, Schulthess TC, Smit B, Pizzi G, Marzari N. Talirz L, et al. Among authors: schulthess tc. Sci Data. 2020 Sep 8;7(1):299. doi: 10.1038/s41597-020-00637-5. Sci Data. 2020. PMID: 32901046 Free PMC article.

5

Surface reconstructions and related local properties of a BiFeO₃ thin film.

Jin L, Xu PX, Zeng Y, Lu L, Barthel J, Schulthess T, Dunin-Borkowski RE, Wang H, Jia CL. Jin L, et al. Among authors: schulthess t. Sci Rep. 2017 Jan 19;7:39698. doi: 10.1038/srep39698. Sci Rep. 2017. PMID: 28102296 Free PMC article.

6

Thermodynamic and Biophysical Analysis of the Membrane-Association of a Histidine-Rich Peptide with Efficient Antimicrobial and Transfection Activities.

Voievoda N, Schulthess T, Bechinger B, Seelig J. Voievoda N, et al. Among authors: schulthess t. J Phys Chem B. 2015 Jul 30;119(30):9678-87. doi: 10.1021/acs.jpcb.5b04543. Epub 2015 Jul 20. J Phys Chem B. 2015. PMID: 26134591

7

Thermal unfolding of apolipoprotein A-1. Evaluation of methods and models.

Schulthess T, Schönfeld HJ, Seelig J. Schulthess T, et al. Biochemistry. 2015 May 19;54(19):3063-75. doi: 10.1021/acs.biochem.5b00238. Epub 2015 May 5. Biochemistry. 2015. PMID: 25907854

8

All-electron GW quasiparticle band structures of group 14 nitride compounds.

Chu IH, Kozhevnikov A, Schulthess TC, Cheng HP. Chu IH, et al. Among authors: schulthess tc. J Chem Phys. 2014 Jul 28;141(4):044709. doi: 10.1063/1.4890325. J Chem Phys. 2014. PMID: 25084939

9

Perturbation calculation of thermodynamic density of states.

Brown G, Schulthess TC, Nicholson DM, Eisenbach M, Stocks GM. Brown G, et al. Among authors: schulthess tc. Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Dec;84(6 Pt 1):061116. doi: 10.1103/PhysRevE.84.061116. Epub 2011 Dec 9. Phys Rev E Stat Nonlin Soft Matter Phys. 2011. PMID: 22304049

10

Dynamic cluster quantum Monte Carlo simulations of a two-dimensional Hubbard model with stripelike charge-density-wave modulations: interplay between inhomogeneities and the superconducting state.

Maier TA, Alvarez G, Summers M, Schulthess TC. Maier TA, et al. Among authors: schulthess tc. Phys Rev Lett. 2010 Jun 18;104(24):247001. doi: 10.1103/PhysRevLett.104.247001. Epub 2010 Jun 16. Phys Rev Lett. 2010. PMID: 20867327

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