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List of works by Joerg Neugebauer

A density functional theory based estimation of the anharmonic contributions to the free energy of a polypeptide helix ⬇️

scientific article published on August 28, 2011

CBCT device dependency on the transfer accuracy from computer‐aided implantology procedures ⬇️

scientific article published on June 11, 2012

Free energy of bcc iron: Integratedab initioderivation of vibrational, electronic, and magnetic contributions

scholarly article in Physical Review B, vol. 78 no. 3, July 2008

Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles

scientific article published on 30 August 2018

Influence of the dislocation core on the glide of the ½〈111〉{110} edge dislocation in bcc-iron: An embedded atom method study

Interfacial structure and chemistry of GaN on Ge(111).

scientific article published on 16 December 2013

Inversion Domain and Stacking Mismatch Boundaries in GaN

scientific article published on 01 July 1996

Macroscopic elastic properties of textured ZrN-AlN polycrystalline aggregates: From ab initio calculations to grain-scale interactions

scholarly article in Physical Review B, vol. 90 no. 18, November 2014

Mechanisms of island formation of alkali-metal adsorbates on Al(111)

scientific article published on 01 July 1993

Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications

scholarly article by M. Friák et al published October 2011 in European physical journal plus

Negatively Charged Ions on Mg(0001) Surfaces: Appearance and Origin of Attractive Adsorbate-Adsorbate Interactions

scientific article published in Physical Review Letters

Phase-field modeling of grain-boundary premelting using obstacle potentials ⬇️

scientific article published on 03 July 2014

Phonon spectra and thermodynamic properties of the infinite polyalanineαhelix: A density-functional-theory-based harmonic vibrational analysis

article

Quantum-Mechanical Study of Single-Crystalline and Polycrystalline Elastic Properties of Mg-Substituted Calcite Crystals

Recent advances in atomic-scale spin-polarized scanning tunneling microscopy.

scientific article published in February 2005

Segmentation of Static and Dynamic Atomic-Resolution Microscopy Data Sets with Unsupervised Machine Learning Using Local Symmetry Descriptors

scientific article published in 2021

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