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Staacke, Carsten Gerald [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Rupp, Jennifer [Other]; Deringer, Volker [Other]

The Electrostatic Gap: Combining Electrostatic Models with Machine Learning Potentials

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München: Universitätsbibliothek der TU München, 2022
Raty, Jean‐Yves [Author]; Schumacher, Mathias [Author]; Golub, Pavlo [Author]; Deringer, Volker L. [Author]; Gatti, Carlo [Author]; Wuttig, Matthias [Author]

A Quantum‐Mechanical Map for Bonding and Properties in Solids

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Wiley-VCH, 2019

Published in: Advanced materials 31(3), 1806280 - (2019). doi:10.1002/adma.201806280
Wuttig, Matthias [Author]; Deringer, Volker L. [Author]; Gonze, Xavier [Author]; Bichara, Christophe [Author]; Raty, Jean-Yves [Author]

Incipient Metals: Functional Materials with a Unique Bonding Mechanism

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Wiley-VCH, 2018

Published in: Advanced materials 30(51), 1803777 - (2018). doi:10.1002/adma.201803777
Xu, Yazhi [Author]; Wang, Xudong [Author]; Ma, En [Author]; Wuttig, Matthias [Author]; Mazzarello, Riccardo [Author]; Zhang, Wei [Author]; Schäfer, Lisa [Author]; Reindl, Johannes [Author]; vom Bruch, Felix [Author]; Zhou, Yuxing [Author]; Evang, Valentin [Author]; Wang, Jiang-Jing [Author]; Deringer, Volker L. [Author]

Materials Screening for Disorder‐Controlled Chalcogenide Crystals for Phase‐Change Memory Applications

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Wiley-VCH, 2021

Published in: Advanced materials 33(9), 2006221 - (2021). doi:10.1002/adma.202006221
Deringer, Volker L

Modelling and understanding battery materials with machine-learning-driven atomistic simulations

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IOP Publishing, 2020

Published in: Journal of Physics: Energy, 2 (2020) 4, Seite 041003
Staacke, Carsten Gerald [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Rupp, Jennifer [Other]; Deringer, Volker [Other]

The Electrostatic Gap: Combining Electrostatic Models with Machine Learning Potentials

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... to E-book via Resolving system

... to E-book via German National Library

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München: Universitätsbibliothek der TU München, 2022
Deringer, Volker L.; Csányi, Gábor

Machine learning based interatomic potential for amorphous carbon

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American Physical Society (APS), 2017

Published in: Physical Review B, 95 (2017) 9
Deringer, Volker L.; Dronskowski, Richard

From Atomistic Surface Chemistry to Nanocrystals of Functional Chalcogenides

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Wiley, 2015

Published in: Angewandte Chemie International Edition, 54 (2015) 51, Seite 15334-15340
Deringer, Volker L.; Csányi, Gábor

Many-Body Dispersion Correction Effects on Bulk and Surface Properties of Rutile and Anatase TiO2

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American Chemical Society (ACS), 2016

Published in: The Journal of Physical Chemistry C, 120 (2016) 38, Seite 21552-21560
Deringer, Volker L.; Dronskowski, Richard

Stabilities and Reconstructions of Clean PbS and PbSe Surfaces: DFT Results and the Role of Dispersion Forces

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American Chemical Society (ACS), 2016

Published in: The Journal of Physical Chemistry C, 120 (2016) 16, Seite 8813-8820
Deringer, Volker L.; Dronskowski, Richard

Von atomistischer Oberflächenchemie zu Nanokristallen funktionaler Chalkogenide

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Wiley, 2015

Published in: Angewandte Chemie, 127 (2015) 51, Seite 15550-15557
Deringer, Volker L.; Dronskowski, Richard

Ab initio study of molecular and atomic oxygen on GeTe(111) surfaces

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AIP Publishing, 2014

Published in: Journal of Applied Physics, 116 (2014) 17
Deringer, Volker L.; Dronskowski, Richard

Pauling's third rule beyond the bulk: chemical bonding at quartz-type GeO2surfaces

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Royal Society of Chemistry (RSC), 2014

Published in: Chem. Sci., 5 (2014) 3, Seite 894-903
Deringer, Volker L.; Dronskowski, Richard

DFT Studies of Pristine Hexagonal Ge1Sb2Te4(0001), Ge2Sb2Te5(0001), and Ge1Sb4Te7(0001) Surfaces

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American Chemical Society (ACS), 2013

Published in: The Journal of Physical Chemistry C, 117 (2013) 29, Seite 15075-15089
Deringer, Volker L.; Dronskowski, Richard

Stabilities and Reconstructions of PbTe Crystal Surfaces from Density-Functional Theory

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American Chemical Society (ACS), 2013

Published in: The Journal of Physical Chemistry C, 117 (2013) 46, Seite 24455-24461
Deringer, Volker L.; Dronskowski, Richard

Stability of Pristine and Defective SnTe Surfaces from First Principles

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Wiley, 2013

Published in: ChemPhysChem, 14 (2013) 13, Seite 3108-3111
Zhou, Yuxing; Kirkpatrick, William; Deringer, Volker L.

Cluster Fragments in Amorphous Phosphorus and their Evolution under Pressure

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Wiley, 2022

Published in: Advanced Materials, 34 (2022) 5
Morrow, Joe D.; Deringer, Volker L.

Indirect learning and physically guided validation of interatomic potential models

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AIP Publishing, 2022

Published in: The Journal of Chemical Physics, 157 (2022) 10
Bernstein, Noam; Csányi, Gábor; Deringer, Volker L.

De novo exploration and self-guided learning of potential-energy surfaces

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Springer Science and Business Media LLC, 2019

Published in: npj Computational Materials, 5 (2019) 1
Deringer, Volker L.; Englert, Ulli; Dronskowski, Richard

Nature, Strength, and Cooperativity of the Hydrogen-Bonding Network in α-Chitin

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American Chemical Society (ACS), 2016

Published in: Biomacromolecules, 17 (2016) 3, Seite 996-1003

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