High-throughput screening of the static friction and ideal cleavage strength of solid interfaces
Wolloch, Michael, Losi, Gabriele, Ferrario, Mauro, Righi, M Clelia
Published in Scientific reports (19.11.2019)
Published in Scientific reports (19.11.2019)
Get full text
Journal Article
Effects of van der Waals Interactions in the Adsorption of Isooctane and Ethanol on Fe(100) Surfaces
Bedolla, Pedro O, Feldbauer, Gregor, Wolloch, Michael, Eder, Stefan J, Dörr, Nicole, Mohn, Peter, Redinger, Josef, Vernes, András
Published in Journal of physical chemistry. C (07.08.2014)
Published in Journal of physical chemistry. C (07.08.2014)
Get full text
Journal Article
Density Functional Investigation of the Adsorption of Isooctane, Ethanol, and Acetic Acid on a Water-Covered Fe(100) Surface
Bedolla, Pedro O, Feldbauer, Gregor, Wolloch, Michael, Gruber, Christoph, Eder, Stefan J, Dörr, Nicole, Mohn, Peter, Redinger, Josef, Vernes, András
Published in Journal of physical chemistry. C (18.09.2014)
Published in Journal of physical chemistry. C (18.09.2014)
Get full text
Journal Article
Strain-induced control of magnetocrystalline anisotropy energy in FeCo thin films
Wolloch, Michael, Suess, Dieter
Published in Journal of magnetism and magnetic materials (15.03.2021)
Published in Journal of magnetism and magnetic materials (15.03.2021)
Get full text
Journal Article
High-throughput generation of potential energy surfaces for solid interfaces
Wolloch, Michael, Losi, Gabriele, Chehaimi, Omar, Yalcin, Firat, Ferrario, Mauro, Righi, Maria Clelia
Published in Computational materials science (01.05.2022)
Published in Computational materials science (01.05.2022)
Get full text
Journal Article
Suppression of material transfer at contacting surfaces: the effect of adsorbates on Al/TiN and Cu/diamond interfaces from first-principles calculations
Feldbauer, Gregor, Wolloch, Michael, Bedolla, Pedro O, Redinger, Josef, Vernes, András, Mohn, Peter
Published in Journal of physics. Condensed matter (14.03.2018)
Published in Journal of physics. Condensed matter (14.03.2018)
Get full text
Journal Article
SurfFlow: high-throughput surface energy calculations for arbitrary crystals
Get full text
Paper
Journal Article
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Bosoni, Emanuele, Beal, Louis, Bercx, Marnik, Blaha, Peter, Blügel, Stefan, Bröder, Jens, Callsen, Martin, Cottenier, Stefaan, Degomme, Augustin, Dikan, Vladimir, Eimre, Kristjan, Flage-Larsen, Espen, nari, Marco, Garcia, Alberto, Genovese, Luigi, Giantomassi, Matteo, Huber, Sebastiaan P, Janssen, Henning, Kastlunger, Georg, Krack, Matthias, Kresse, Georg, Kühne, Thomas D, Lejaeghere, Kurt, Madsen, Georg K H, Marsman, Martijn, Marzari, Nicola, Michalicek, Gregor, Mirhosseini, Hossein, Müller, Tiziano M A, Petretto, Guido, Pickard, Chris J, Poncé, Samuel, Gian-Marco Rignanese, Rubel, Oleg, Ruh, Thomas, Sluydts, Michael, Vanpoucke, Danny E P, Sudarshan Vijay, Wolloch, Michael, Wortmann, Daniel, Yakutovich, Aliaksandr V, Yu, Jusong, Austin Zadoks, Zhu, Bonan, Pizzi, Giovanni
Published in arXiv.org (26.05.2023)
Published in arXiv.org (26.05.2023)
Get full text
Paper
Journal Article
Suppression of material transfer at contacting surfaces: The effect of adsorbates on Al/TiN and Cu/diamond interfaces from first-principles calculations
Feldbauer, Gregor, Wolloch, Michael, Bedolla, Pedro O, Redinger, Josef, Vernes, András, Mohn, Peter
Published in arXiv.org (09.11.2017)
Published in arXiv.org (09.11.2017)
Get full text
Paper
Journal Article
Ab-initio calculation of the real contact area on the atomic scale
Wolloch, Michael, Feldbauer, Gregor, Mohn, Peter, Redinger, Josef, Vernes, András
Published in arXiv.org (27.05.2015)
Published in arXiv.org (27.05.2015)
Get full text
Paper
Journal Article
Ab-initio friction forces on the nanoscale: A DFT study of fcc Cu(111)
Wolloch, Michael, Feldbauer, Gregor, Mohn, Peter, Redinger, Josef, Vernes, András
Published in arXiv.org (26.08.2014)
Published in arXiv.org (26.08.2014)
Get full text
Paper
Journal Article
Adhesion and material transfer between contacting Al and TiN surfaces from first principles
Feldbauer, Gregor, Wolloch, Michael, Bedolla, Pedro O, Mohn, Peter, Redinger, Josef, Vernes, András
Published in arXiv.org (23.04.2015)
Published in arXiv.org (23.04.2015)
Get full text
Paper
Journal Article
Effects of van der Waals Interactions in the Adsorption of Isooctane and Ethanol on Fe(100) Surfaces
Bedolla, Pedro O, Feldbauer, Gregor, Wolloch, Michael, Eder, Stefan J, Dörr, Nicole, Mohn, Peter, Redinger, Josef, Vernes, András
Published in arXiv.org (15.05.2014)
Published in arXiv.org (15.05.2014)
Get full text
Paper
Journal Article
Impact of lattice dynamics on the phase stability of metamagnetic FeRh: Bulk and thin films
Wolloch, Michael, Gruner, Markus E, Keune, Werner, Mohn, Peter, Redinger, Josef, Hofer, Florian, Suess, Dieter, Podloucky, Raimund, Landers, Joachim, Salamon, Soma, Scheibel, Franziska, Spodding, Detlef, Witte, Ralf, Beatriz Roldan Cuenya, Gutfleisch, Oliver, Hu, Michael Y, Zhao, Jiyong, Toellner, Thomas, Alp, Ercan E, Siewert, Mario, Entel, Peter, Pentcheva, Rossitza, Wende, Heiko
Published in arXiv.org (15.08.2016)
Published in arXiv.org (15.08.2016)
Get full text
Paper
Journal Article