Volker L. Deringer

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Richard DronskowskiDistinguished Professor, Chair of Solid-State and Quantum Chemistry, RWTH Aachen UniversityCorreu electrònic verificat a HAL9000.ac.rwth-aachen.de
Gabor CsanyiProfessor of Molecular Modelling, Engineering Laboratory, University of CambridgeCorreu electrònic verificat a cam.ac.uk
Wei ZhangProfessor, Xi'an Jiaotong UniversityCorreu electrònic verificat a mail.xjtu.edu.cn
Matthias WuttigProfessor für Physik, RWTH AachenCorreu electrònic verificat a physik.rwth-aachen.de
Janine GeorgeBundesanstalt für Materialforschung und -prüfungCorreu electrònic verificat a bam.de
Miguel A. CaroSenior Scientist & Academy of Finland Research Fellow, Aalto UniversityCorreu electrònic verificat a aalto.fi
Riccardo MazzarelloSapienza UniversityCorreu electrònic verificat a uniroma1.it
Yuxing ZhouUniversity of OxfordCorreu electrònic verificat a chem.ox.ac.uk
Stefan MaintzNVIDIACorreu electrònic verificat a nvidia.com
Andrei TchougreeffFrumkin Institute of RASCorreu electrònic verificat a ac.rwth-aachen.de
Albert P. BartokUniversity of WarwickCorreu electrònic verificat a warwick.ac.uk
Tomi Laurila, ProfessorAalto University, FinlandCorreu electrònic verificat a aalto.fi
Michele CeriottiAssociate Professor at EPFL, Institute of MaterialsCorreu electrònic verificat a epfl.ch
Ulli EnglertCorreu electrònic verificat a ac.rwth-aachen.de
Ma, EvanProfessor of Materials Science and Engineering (retired from JHU, currently at XJTU)Correu electrònic verificat a xjtu.edu.cn
Chiheb Ben MahmoudSwiss National Science Foundation Fellow, University of OxfordCorreu electrònic verificat a chem.ox.ac.uk
David A. DraboldOhio UniversityCorreu electrònic verificat a ohio.edu
Anja AarvaD.Sc. (Tech.)Correu electrònic verificat a aalto.fi
Geoffroy HautierDartmouth CollegeCorreu electrònic verificat a dartmouth.edu
Christina ErturalBundesanstalt für Materialforschung und -prüfung (BAM)Correu electrònic verificat a rwth-aachen.de

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Volker L. Deringer

University of Oxford

Correu electrònic verificat a chem.ox.ac.uk - Pàgina d'inici

materials chemistry machine learning amorphous solids chemical bonding


Títol Ordena per cites Ordena per any Ordena per títol	Citada per Citada per	Any
LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT S Maintz, VL Deringer, AL Tchougréeff, R Dronskowski Journal of computational chemistry 37 (11), 1030-1035, 2016	2558	2016
Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets VL Deringer, AL Tchougréeff, R Dronskowski The Journal of Physical Chemistry A 115 (21), 5461-5466, 2011	2471	2011
Analytic projection from plane‐wave and PAW wavefunctions and application to chemical‐bonding analysis in solids S Maintz, VL Deringer, AL Tchougréeff, R Dronskowski Journal of computational chemistry 34 (29), 2557-2567, 2013	1500	2013
LOBSTER: Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory R Nelson, C Ertural, J George, VL Deringer, G Hautier, R Dronskowski Journal of Computational Chemistry 41 (21), 1931-1940, 2020	868	2020
Gaussian Process Regression for Materials and Molecules VL Deringer, AP Bartók, N Bernstein, DM Wilkins, M Ceriotti, G Csányi Chemical Reviews 121 (16), 10073-10141, 2021	865	2021
Machine Learning Interatomic Potentials as Emerging Tools for Materials Science VL Deringer, MA Caro, G Csányi Advanced Materials, 1902765, 2019	750	2019
Machine learning based interatomic potential for amorphous carbon VL Deringer, G Csányi Physical Review B 95, 094203, 2017	680	2017
A stable compound of helium and sodium at high pressure X Dong, AR Oganov, AF Goncharov, E Stavrou, S Lobanov, G Saleh, ... Nature Chemistry 9 (5), 440-445, 2017	372	2017
Incipient Metals: Functional Materials with a Unique Bonding Mechanism M Wuttig, VL Deringer, X Gonze, C Bichara, JY Raty Advanced Materials 30 (51), 1803777, 2018	364	2018
Origins of structural and electronic transitions in disordered silicon VL Deringer, N Bernstein, G Csányi, C Ben Mahmoud, M Ceriotti, ... Nature 589 (7840), 59-64, 2021	298	2021
A Quantum‐Mechanical Map for Bonding and Properties in Solids JY Raty, M Schumacher, P Golub, VL Deringer, C Gatti, M Wuttig Advanced Materials 31 (3), 1806280, 2019	292	2019
Realistic atomistic structure of amorphous silicon from machine-learning-driven molecular dynamics VL Deringer, N Bernstein, AP Bartók, MJ Cliffe, RN Kerber, LE Marbella, ... The journal of physical chemistry letters 9 (11), 2879-2885, 2018	270	2018
An accurate and transferable machine learning potential for carbon P Rowe, VL Deringer, P Gasparotto, G Csányi, A Michaelides The Journal of Chemical Physics 153 (3), 034702, 2020	245	2020
Data-driven learning of total and local energies in elemental boron VL Deringer, CJ Pickard, G Csányi Physical Review Letters 120 (15), 156001, 2018	221	2018
Growth Mechanism and Origin of High Content in Tetrahedral Amorphous Carbon MA Caro, VL Deringer, J Koskinen, T Laurila, G Csányi Physical Review Letters 120 (16), 166101, 2018	183	2018
De novo exploration and self-guided learning of potential-energy surfaces N Bernstein, G Csányi, VL Deringer npj Computational Materials 5, 99, 2019	175	2019
Modeling the Phase-Change Memory Material, Ge₂Sb₂Te₅, with a Machine-Learned Interatomic Potential FC Mocanu, K Konstantinou, TH Lee, N Bernstein, VL Deringer, G Csányi, ... The Journal of Physical Chemistry B 122 (38), 8998-9006, 2018	160	2018
Bonding Nature of Local Structural Motifs in Amorphous GeTe VL Deringer, W Zhang, M Lumeij, S Maintz, M Wuttig, R Mazzarello, ... Angewandte Chemie International Edition 53 (40), 10817-10820, 2014	159	2014
A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023	151	2023
A general-purpose machine-learning force field for bulk and nanostructured phosphorus VL Deringer, MA Caro, G Csányi Nature communications 11 (1), 5461, 2020	138	2020

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