Blazej Grabowski

发表

Data driven engineering of advanced materials: Combining high precision and scale bridging

Blazej Grabowski, 2017 .

First principles at finite temperatures: New approaches and massively parallel computations

Fritz Körmann, Blazej Grabowski, Tilmann Hickel, 2013 .

Modern materials design from first-principles: Recent progress and future prospects

Blazej Grabowski, 2015 .

Advancing ab initio methods to finite temperatures: The opening of new routes in materials design

Fritz Körmann, Blazej Grabowski, Tilmann Hickel, 2012 .

Advanced data mining in field ion microscopy

Jorg Neugebauer, Baptiste Gault, Dierk Raabe, 2017, Materials Characterization.

Ab initio up to the melting point: Anharmonicity and vacancies in aluminum

Blazej Grabowski, Jörg Neugebauer, Tilmann Hickel, 2009 .

Efficient approach to compute melting properties fully from ab initio with application to Cu

Blazej Grabowski, Jörg Neugebauer, B. Grabowski, 2017 .

DFT-based materials and steel design at finite temperatures

Blazej Grabowski, T Hickel, F Kormann, 2011 .

Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni

Roger C. Reed, Fritz Körmann, Blazej Grabowski, 2018, Physical Review B.

Accurate electronic free energies of the 3 d ,4 d , and 5 d transition metals at high temperatures

Fritz Körmann, Blazej Grabowski, Jörg Neugebauer, 2017 .

Thermodynamic modelling of crystalline unary phases

Wei Xiong, Mauro Palumbo, Blazej Grabowski, 2014 .

Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends

Blazej Grabowski, Jörg Neugebauer, Tilmann Hickel, 2007 .

Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC

Blazej Grabowski, Jörg Neugebauer, Albert Glensk, 2015 .

Temperature-driven phase transitions from first principles including all relevant excitations: The fcc-to-bcc transition in Ca

Blazej Grabowski, Tilmann Hickel, Per Söderlind, 2011 .

High Fidelity Reconstruction of Experimental Field Ion Microscopy Data by Atomic Relaxation Simulations

Dierk Raabe, Baptiste Gault, Blazej Grabowski, 2017, Microscopy and Microanalysis.

A QM/MM approach for low-symmetry defects in metals

Blazej Grabowski, Jörg Neugebauer, Jörg Rottler, 2016 .

Impact of local electrostatic field rearrangement on field ionization

Dierk Raabe, Baptiste Gault, Blazej Grabowski, 2018 .