Richard Dronskowski

Orcid: 0000-0002-1925-9624

According to our database1, Richard Dronskowski authored at least 25 papers between 2005 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

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Bibliography

2023
On the atomistic origin of the polymorphism and the dielectric physical properties of beryllium oxide.
J. Comput. Chem., 2023

2021
Solid-state quantum chemistry with ΘΦ (ThetaPhi): Spin-liquids, superconductors, and magnetic superstructures made computationally available.
J. Comput. Chem., 2021

2020
LOBSTER : Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory.
J. Comput. Chem., 2020

ΘΦ: Solid state package allowing Bardeen-Cooper-Schrieffer and magnetic superstructure electronic states.
Comput. Phys. Commun., 2020

2019
Achieving band convergence by tuning the bonding ionicity in n-type Mg3Sb2.
J. Comput. Chem., 2019

2017
Automated first-principles mapping for phase-change materials.
J. Comput. Chem., 2017

2016
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT.
J. Comput. Chem., 2016

2014
Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe-Mn alloys: A first-principles study.
J. Comput. Chem., 2014

2013
Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids.
J. Comput. Chem., 2013

<i>Ab initio</i> study of the high-temperature phase transition in crystalline GeO<sub>2</sub>.
J. Comput. Chem., 2013

2012
Electronic structure and thermodynamics of V2O3 polymorphs.
J. Comput. Chem., 2012

2011
Hydrogen-bond networks in finite ice nanotubes.
J. Comput. Chem., 2011

Speeding up plane-wave electronic-structure calculations using graphics-processing units.
Comput. Phys. Commun., 2011

cuVASP: A GPU-Accelerated Plane-Wave Electronic-Structure Code.
Proceedings of the High Performance Computing in Science and Engineering '11, 2011

2010
A first-principles study on the existence and structures of the lighter alkaline-earth pernitrides.
J. Comput. Chem., 2010

A combinatorial study of inverse Heusler alloys by first-principles computational methods.
J. Comput. Chem., 2010

A density-functional study of the phase diagram of cementite-type (Fe, Mn)<sub>3</sub>C at absolute zero temperature.
J. Comput. Chem., 2010

2009
A combinatorial study of full Heusler alloys by first-principles computational methods.
J. Comput. Chem., 2009

2008
First-principles and molecular-dynamics study of structure and bonding in perovskite-type oxynitrides <i>AB</i>O<sub>2</sub>N (<i>A</i> = Ca, Sr, Ba; <i>B</i> = Ta, Nb).
J. Comput. Chem., 2008

A computational study of the crystal and electronic structure of the room temperature organometallic ferromagnet V(TCNE)<sub>2</sub>.
J. Comput. Chem., 2008

Foreword.
J. Comput. Chem., 2008

A Density-functional Study of Nitrogen and Oxygen Mobility in Fluorite-type Tantalum Oxynitrides.
Proceedings of the High Performance Computing in Science and Engineering '08, 2008

2006
Electron group functions for the analysis of the electronic structures of molecules.
J. Comput. Chem., 2006

Electronic structure, chemical bonding, and finite-temperature magnetic properties of full Heusler alloys.
J. Comput. Chem., 2006

2005
A theoretical study on the structures and energetics of hypothetical TiM(NCN)3 compounds of the 3d transition metals.
J. Comput. Chem., 2005


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