Volker L. Deringer

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Richard DronskowskiDistinguished Professor, Chair of Solid-State and Quantum Chemistry, RWTH Aachen UniversityVerified email at HAL9000.ac.rwth-aachen.de
Gabor CsanyiProfessor of Molecular Modelling, Engineering Laboratory, University of CambridgeVerified email at cam.ac.uk
Wei ZhangProfessor, Xi'an Jiaotong UniversityVerified email at mail.xjtu.edu.cn
Matthias WuttigProfessor für Physik, RWTH AachenVerified email at physik.rwth-aachen.de
Janine GeorgeBundesanstalt für Materialforschung und -prüfungVerified email at bam.de
Riccardo MazzarelloSapienza UniversityVerified email at uniroma1.it
Miguel A. CaroSenior Scientist & Academy of Finland Research Fellow, Aalto UniversityVerified email at aalto.fi
Stefan MaintzNVIDIAVerified email at nvidia.com
Andrei TchougreeffFrumkin Institute of RASVerified email at ac.rwth-aachen.de
Yuxing ZhouUniversity of OxfordVerified email at chem.ox.ac.uk
Tomi Laurila, Professor (full)Aalto University, FinlandVerified email at aalto.fi
Albert P. BartokUniversity of WarwickVerified email at warwick.ac.uk
Michele CeriottiAssociate Professor at EPFL, Institute of MaterialsVerified email at epfl.ch
Ma, EvanProfessor of Materials Science and Engineering (retired from JHU, currently at XJTU)Verified email at xjtu.edu.cn
Anja Aarvaanja.aarva@gmail.comVerified email at aalto.fi
Geoffroy HautierDartmouth CollegeVerified email at dartmouth.edu
Davide M ProserpioUniversità degli Studi di Milano, Dipartimento di Chimica (Italy)Verified email at unimi.it
Carlo GattiDirigente di Ricerca, CNR-SCITEC, Istituto di Scienze e Tecnologie Chimiche, sezione di via GolgiVerified email at scitec.cnr.it
jean yves ratyVerified email at scarlet.be
Taehoon LeeKyungpook National UniversityVerified email at knu.ac.kr

Volker L. Deringer

University of Oxford

Verified email at chem.ox.ac.uk - Homepage

materials chemistry machine learning amorphous solids chemical bonding


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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	2024	2011
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	2020	2016
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	1310	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	586	2020
Machine learning based interatomic potential for amorphous carbon VL Deringer, G Csányi Physical Review B 95, 094203, 2017	578	2017
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	556	2021
Machine Learning Interatomic Potentials as Emerging Tools for Materials Science VL Deringer, MA Caro, G Csányi Advanced Materials, 1902765, 2019	552	2019
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	329	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	316	2018
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	258	2019
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	243	2021
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	232	2018
Data-driven learning of total and local energies in elemental boron VL Deringer, CJ Pickard, G Csányi Physical Review Letters 120 (15), 156001, 2018	196	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	186	2020
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	162	2018
De novo exploration and self-guided learning of potential-energy surfaces N Bernstein, G Csányi, VL Deringer npj Computational Materials 5, 99, 2019	155	2019
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	145	2014
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	134	2018
Vibrational properties and bonding nature of Sb 2 Se 3 and their implications for chalcogenide materials VL Deringer, RP Stoffel, M Wuttig, R Dronskowski Chemical Science 6 (9), 5255-5262, 2015	114	2015
A general-purpose machine-learning force field for bulk and nanostructured phosphorus VL Deringer, MA Caro, G Csányi Nature communications 11 (1), 5461, 2020	103	2020

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