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Static and dynamical properties of heavy water at ambient conditions from first-principles molecular dynamics
National licenceAmerican Institute of Physics | 2005| -
Unique Carbon-Nanotube Field-Effect Transistors with Asymmetric Source and Drain Contacts
American Chemical Society | 2008| -
Vibrational and thermoelastic properties of bcc iron from selected EAM potentials
Free accessArXiv | 2016| -
Band-like Electron Transport with Record-High Mobility in the TCNQ family
Free accessArXiv | 2015| -
Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations
American Chemical Society | 2019| -
Functional extrapolations to tame unbound anions in density-functional theory calculations
Free accessArXiv | 2019| -
Crossover from Boltzmann to Wigner thermal transport in thermoelectric skutterudites
Free accessArXiv | 2023| -
Vibrational Recognition of Adsorption Sites for CO on Platinum and Platinum−Ruthenium Surfaces
American Chemical Society | 2007| -
AiiDA: Automated Interactive Infrastructure and Database for Computational Science
Free accessArXiv | 2015| -
Koopmans-Compliant Functionals and Potentials and Their Application to the GW100 Test Set
American Chemical Society | 2019| -
Breakdown of optical phonons' splitting in two-dimensional materials
Free accessBASE | 2017|Contributors: Marzari, Nicola -
Breakdown of Optical Phonons’ Splitting in Two-Dimensional Materials
American Chemical Society | 2017| -
Vibrational Recognition of Adsorption Sites for Carbon Monoxide on Platinum and Platinum-Ruthenium Surfaces
Free accessArXiv | 2007|
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