Richard Dronskowski

24 papers Journal 22
YearRankTypeTitle / Venue / Authors
2023 J jnl
On the atomistic origin of the polymorphism and the dielectric physical properties of beryllium oxide.
J. Comput. Chem.
Linda S. Reitz, Peter C. Müller, David Schnieders, Richard Dronskowski, Woon Ih Choi, Won-Joon Son, Inkook Jang, Dae Sin Kim
2021 J jnl
Solid-state quantum chemistry with ΘΦ (ThetaPhi): Spin-liquids, superconductors, and magnetic superstructures made computationally available.
J. Comput. Chem.
Andreì L. Tchougréeff, Evgeny Plekhanov, Richard Dronskowski
2020 J jnl
LOBSTER : Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory.
J. Comput. Chem.
Ryky Nelson, Christina Ertural, Janine George, Volker L. Deringer, Geoffroy Hautier, Richard Dronskowski
2020 J jnl
ΘΦ: Solid state package allowing Bardeen-Cooper-Schrieffer and magnetic superstructure electronic states.
Comput. Phys. Commun.
Evgeny Plekhanov, Andreì L. Tchougréeff, Richard Dronskowski
2019 J jnl
Achieving band convergence by tuning the bonding ionicity in n-type Mg3Sb2.
J. Comput. Chem.
Xin Sun, Xin Li, Jiong Yang, Jinyang Xi, Ryky Nelson, Christina Ertural, Richard Dronskowski, Weishu Liu, Gerald J. Snyder, David J. Singh, Wenqing Zhang
2017 J jnl
Automated first-principles mapping for phase-change materials.
J. Comput. Chem.
Marc Esser, Stefan Maintz, Richard Dronskowski
2016 J jnl
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT.
J. Comput. Chem.
Stefan Maintz, Volker L. Deringer, Andreì L. Tchougréeff, Richard Dronskowski
2014 J jnl
Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe-Mn alloys: A first-principles study.
J. Comput. Chem.
Jörg Von Appen, Richard Dronskowski, Aurab Chakrabarty, Tilmann Hickel, Robert Spatschek, Jörg Neugebauer
2013 J jnl
Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids.
J. Comput. Chem.
Stefan Maintz, Volker L. Deringer, Andreì L. Tchougréeff, Richard Dronskowski
2012 J jnl
Electronic structure and thermodynamics of V2O3 polymorphs.
J. Comput. Chem.
Claudia Wessel, Christoph Reimann, Alexander Müller, Dominik Weber, Martin Lerch, Thorsten Ressler, Thomas Bredow, Richard Dronskowski
2011 J jnl
Hydrogen-bond networks in finite ice nanotubes.
J. Comput. Chem.
Andrei M. Tokmachev, Richard Dronskowski
2011 J jnl
Speeding up plane-wave electronic-structure calculations using graphics-processing units.
Comput. Phys. Commun.
Stefan Maintz, Bernhard Eck, Richard Dronskowski
2011 — ch.
cuVASP: A GPU-Accelerated Plane-Wave Electronic-Structure Code.
High Performance Computing in Science and Engineering
Stefan Maintz, Bernhard Eck, Richard Dronskowski
2010 J jnl
A combinatorial study of inverse Heusler alloys by first-principles computational methods.
J. Comput. Chem.
Michael Gilleßen, Richard Dronskowski
2010 J jnl
A density-functional study of the phase diagram of cementite-type (Fe, Mn)
J. Comput. Chem.
Jörg Von Appen, Bernhard Eck, Richard Dronskowski
2010 J jnl
A first-principles study on the existence and structures of the lighter alkaline-earth pernitrides.
J. Comput. Chem.
Michael Wessel, Richard Dronskowski
2009 J jnl
A combinatorial study of full Heusler alloys by first-principles computational methods.
J. Comput. Chem.
Michael Gilleßen, Richard Dronskowski
2008 — ch.
A Density-functional Study of Nitrogen and Oxygen Mobility in Fluorite-type Tantalum Oxynitrides.
High Performance Computing in Science and Engineering
Holger Wolff, Bernhard Eck, Richard Dronskowski
2008 J jnl
A computational study of the crystal and electronic structure of the room temperature organometallic ferromagnet V(TCNE)
J. Comput. Chem.
Andreì L. Tchougréeff, Richard Dronskowski
2008 J jnl
First-principles and molecular-dynamics study of structure and bonding in perovskite-type oxynitrides
J. Comput. Chem.
Holger Wolff, Richard Dronskowski
2008 J jnl
Foreword.
J. Comput. Chem.
Richard Dronskowski, Gernot Frenking
2006 J jnl
Electron group functions for the analysis of the electronic structures of molecules.
J. Comput. Chem.
Andrei M. Tokmachev, Richard Dronskowski
2006 J jnl
Electronic structure, chemical bonding, and finite-temperature magnetic properties of full Heusler alloys.
J. Comput. Chem.
Yasemin Kurtulus, Michael Gilleßen, Richard Dronskowski
2005 J jnl
A theoretical study on the structures and energetics of hypothetical TiM(NCN)3 compounds of the 3d transition metals.
J. Comput. Chem.
Maxence Launay, Richard Dronskowski