Publications 2018


Showing entries 1 - 20 out of 133
Karsai F, Humer M, Espen F-L, Peter B, Kresse G. Effects of electron-phonon coupling on absorption spectrum: K edge of hexagonal boron nitride. Physical Review B. 2018 Dec 26;98(23):235205. doi: 10.1103/PhysRevB.98.235205

Karsai F, Engel M, Kresse G, Flage-Larsen E. Electron-phonon coupling in semiconductors within the GW approximation. New Journal of Physics. 2018 Dec 14;20(12):123008. doi: 10.1088/1367-2630/aaf53f

Schätti J, Rieser P, Sezer U, Richter G, Geyer P, Rondina GG et al. Pushing the mass limit for intact launch and photoionization of large neutral biopolymers. Communications Chemistry. 2018 Dec 10;1:93. doi: 10.1038/s42004-018-0095-y

Shi L, Wei J, Yanagi K, Saito T, Cao K, Kaiser U et al. Templated direct growth of ultra-thin double-walled carbon nanotubes. Nanoscale. 2018 Dec 7;10(45):21254-21261. Epub 2018 Nov 5. doi: 10.1039/C8NR06925E

Stickler BA, Papendell B, Kuhn S, Schrinski B, Millen J, Arndt M et al. Probing macroscopic quantum superpositions with nanorotors. New Journal of Physics. 2018 Dec 5;20(12):122001. doi: 10.1088/1367-2630/aaece4

Ludacka U, Monazam MRA, Rentenberger C, Friedrich M, Stefanelli U, Meyer JC et al. In situ control of graphene ripples and strain in the electron microscope. npj 2D Materials and Applications. 2018 Dec 1;2(1):25. doi: 10.1038/s41699-018-0069-z

Novak E, Pyanzina E, Rozhkov D, Ronti M, Cerdà JJ, Sintes T et al. Suspensions of supracolloidal magnetic polymers: self-assembly properties from computer simulations. Journal of Molecular Liquids. 2018 Dec 1;271:631-638. Epub 2018 Sep 1. doi: 10.1016/j.molliq.2018.08.145


Menger MFSJ, Plasser F, Mennucci B, Gonzalez L. Surface Hopping within an Exciton Picture. An Electrostatic Embedding Scheme. Journal of Chemical Theory and Computation. 2018 Dec;14(12):6139-6148. doi: 10.1021/acs.jctc.8b00763

Moreno-Lopez JC, Ruano G, Ferron J, Ayala P, Passeggi MCG. Thermally Annealed Sub-Monolayers of AlF3 on Cu(100): An STM and XPS Study. Physica Status Solidi. B: Basic Research. 2018 Dec;255(12):1800389. doi: 10.1002/pssb.201800389

Reinoso C, Shi L, Domanov O, Rohringer P, Pichler T, Ayala P. Very high boron-doping on single-walled carbon nanotubes from a solid precursor. Carbon. 2018 Dec;140:259-264. Epub 2018 Aug 17. doi: 10.1016/j.carbon.2018.08.031

Schüler M, Peil OE, Kraberger GJ, Pordzik R, Marsman M, Kresse G et al. Charge self-consistent many-body corrections using optimized projected localized orbitals. Journal of Physics: Condensed Matter. 2018 Nov 28;30(47):475901. doi: 10.1088/1361-648X/aae80a

Tromayer M, Gruber P, Rosspeintner A, Ajami A, Husinsky W, Plasser F et al. Wavelength-optimized Two-Photon Polymerization Using Initiators Based on Multipolar Aminostyryl-1,3,5-triazines. Scientific Reports. 2018 Nov 22;8(1):17273. doi: 10.1038/s41598-018-35301-x

Wieme J, Lejaeghere K, Kresse G, Van Speybroeck V. Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks. Nature Communications. 2018 Nov 21;9(1):4899. doi: 10.1038/s41467-018-07298-4

Cardelli C, Tubiana L, Bianco V, Nerattini F, Dellago C, Coluzza I. Heteropolymer Design and Folding of Arbitrary Topologies Reveals an Unexpected Role of Alphabet Size on the Knot Population. Macromolecules. 2018 Nov 13;51(21):8346-8356. doi: 10.1021/acs.macromol.8b01359

Dorner F, Sukurma Z, Dellago C, Kresse G. Melting Si: Beyond Density Functional Theory. Physical Review Letters. 2018 Nov 6;121(19):195701. doi: 10.1103/PhysRevLett.121.195701

Singer G, Siedlaczek P, Sinn G, Rennhofer H, Micusik M, Omastova M et al. Acid Free Oxidation and Simple Dispersion Method of MWCNT for High-Performance CFRP. Nanomaterials. 2018 Nov;8(11):912. doi: 10.3390/nano8110912

Showing entries 1 - 20 out of 133