Volker L Deringer

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 41

Top Venues

Chemical science

The Journal of chemical physics

Angewandte Chemie (International ed. in English)

Advanced materials (Deerfield Beach, Fla.)

University of Oxford

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Oxford Sep 01 2019

United Kingdom

Associate Professor :: Department of Chemistry

Publications

Chiheb Ben Mahmoud, John L A Gardner, Volker L Deringer
Data as the next challenge in atomistic machine learning. Nature computational science (2024)
Phillip M Maffettone, William J K Fletcher, Thomas C Nicholas, Volker L Deringer, Jane R Allison, Lorna J Smith, Andrew L Goodwin
When can we trust structural models derived from pair distribution function measurements? Faraday discussions (2024)
Joe D Morrow, Chinonso Ugwumadu, David A Drabold, Stephen R Elliott, Andrew L Goodwin, Volker L Deringer
Understanding Defects in Amorphous Silicon with Million-Atom Simulations and Machine Learning. Angewandte Chemie (International ed. in English) (2024)
Linus C Erhard, Jochen Rohrer, Karsten Albe, Volker L Deringer
Modelling atomic and nanoscale structure in the silicon-oxygen system through active machine learning. Nature communications 15 (1) (2024)
Joe D Morrow, Chinonso Ugwumadu, David A Drabold, Stephen R Elliott, Andrew L Goodwin, Volker L Deringer
Understanding Defects in Amorphous Silicon with Million-Atom Simulations and Machine Learning. Angewandte Chemie (International ed. in English) 63 (22) (2024)
Linus C Erhard, Jochen Rohrer, Karsten Albe, Volker L Deringer
Modelling atomic and nanoscale structure in the silicon-oxygen system through active machine learning. Nature communications 15 (1) (2024)
Daniel F Thomas du Toit, Volker L Deringer
Cross-platform hyperparameter optimization for machine learning interatomic potentials. The Journal of chemical physics 159 (2) (2023)
Choongseok Chang, Volker L Deringer, Kalpana S Katti, Veronique Van Speybroeck, Christopher M Wolverton
Simulations in the era of exascale computing. Nature reviews. Materials 8 (5) (2023)
Xueyang Shen, Yuxing Zhou, Hanyi Zhang, Volker L Deringer, Riccardo Mazzarello, Wei Zhang
Surface effects on the crystallization kinetics of amorphous antimony. Nanoscale (2023)
Choongseok Chang, Volker L Deringer, Kalpana S Katti, Veronique Van Speybroeck, Christopher M Wolverton
Simulations in the era of exascale computing. Nature reviews. Materials 8 (5) (2023)
Joe D Morrow, John L A Gardner, Volker L Deringer
How to validate machine-learned interatomic potentials. The Journal of chemical physics 158 (12) (2023)
Choongseok Chang, Volker L Deringer, Kalpana S Katti, Veronique Van Speybroeck, Christopher M Wolverton
Simulations in the era of exascale computing. Nature reviews. Materials 8 (5) (2023)
Sanggyu Chong, Federico Grasselli, Chiheb Ben Mahmoud, Joe D Morrow, Volker L Deringer, Michele Ceriotti
Robustness of Local Predictions in Atomistic Machine Learning Models. Journal of chemical theory and computation (2023)
Thomas C Nicholas, Adam Edward Stones, Adam Patel, F Marc Michel, Richard J Reeder, Dirk G A L Aarts, Volker L Deringer, Andrew L Goodwin
Geometrically frustrated interactions drive structural complexity in amorphous calcium carbonate. Nature chemistry (2023)
Zoé Faure Beaulieu, Thomas C Nicholas, John L A Gardner, Andrew L Goodwin, Volker L Deringer
Coarse-grained versus fully atomistic machine learning for zeolitic imidazolate frameworks. Chemical communications (Cambridge, England) (2023)
Joe D Morrow, Volker L Deringer
Indirect learning and physically guided validation of interatomic potential models. The Journal of chemical physics 157 (10) (2022)
Zakariya El-Machachi, Mark Wilson, Volker L Deringer
Exploring the configurational space of amorphous graphene with machine-learned atomic energies. Chemical science 13 (46) (2022)
Zakariya El-Machachi, Mark Wilson, Volker L Deringer
Exploring the configurational space of amorphous graphene with machine-learned atomic energies. Chemical science 13 (46) (2022)
Tom A Young, Tristan Johnston-Wood, Volker L Deringer, Fernanda Duarte
A transferable active-learning strategy for reactive molecular force fields. Chemical science 12 (32) (2021)
Thomas C Nicholas, Eugeny V Alexandrov, Vladislav A Blatov, Alexander P Shevchenko, Davide M Proserpio, Andrew L Goodwin, Volker L Deringer
Visualization and Quantification of Geometric Diversity in Metal-Organic Frameworks. Chemistry of materials : a publication of the American Chemical Society 33 (21) (2021)
Volker L Deringer, Albert P Bartók, Noam Bernstein, David M Wilkins, Michele Ceriotti, Gábor Csányi
Gaussian Process Regression for Materials and Molecules. Chemical reviews 121 (16) (2021)
Volker L Deringer, Noam Bernstein, Gábor Csányi, Chiheb Ben Mahmoud, Michele Ceriotti, Mark Wilson, David A Drabold, Stephen R Elliott
Origins of structural and electronic transitions in disordered silicon. Nature 589 (7840) (2021)
Yuxing Zhou, William Kirkpatrick, Volker L Deringer
Cluster Fragments in Amorphous Phosphorus and their Evolution under Pressure. Advanced materials (Deerfield Beach, Fla.) (2021)
Anja Aarva, Sami Sainio, Volker L Deringer, Miguel A Caro, Tomi Laurila
X-ray Spectroscopy Fingerprints of Pristine and Functionalized Graphene. The journal of physical chemistry. C, Nanomaterials and interfaces 125 (33) (2021)
Bingqing Cheng, Ryan-Rhys Griffiths, Simon Wengert, Christian Kunkel, Tamas Stenczel, Bonan Zhu, Volker L Deringer, Noam Bernstein, Johannes T Margraf, Karsten Reuter, Gabor Csanyi
Mapping Materials and Molecules. Accounts of chemical research 53 (9) (2020)
Thomas C Nicholas, Andrew L Goodwin, Volker L Deringer
Understanding the geometric diversity of inorganic and hybrid frameworks through structural coarse-graining. Chemical science 11 (46) (2020)
Tassilo M F Restle, Volker L Deringer, Jan Meyer, Gabriele Raudaschl-Sieber, Thomas F Fässler
Supertetrahedral polyanionic network in the first lithium phosphidoindate Li3InP2 - structural similarity to Li2SiP2 and Li2GeP2 and dissimilarity to Li3AlP2 and Li3GaP2. Chemical science 12 (4) (2020)
Volker L Deringer, Chris J Pickard, Davide M Proserpio
Hierarchically Structured Allotropes of Phosphorus from Data-Driven Exploration. Angewandte Chemie (International ed. in English) 59 (37) (2020)
Xudong Wang, Jieling Tan, Chengqian Han, Jiang-Jing Wang, Lu Lu, Hongchu Du, Chun-Lin Jia, Volker L Deringer, Jian Zhou, Wei Zhang
Sub-Angstrom Characterization of the Structural Origin for High In-Plane Anisotropy in 2D GeS2. ACS nano 14 (4) (2020)
Volker L Deringer, Miguel A Caro, Gábor Csányi
A general-purpose machine-learning force field for bulk and nanostructured phosphorus. Nature communications 11 (1) (2020)
Atefeh Jafari, Benedikt Klobes, Ilya Sergueev, Duncan H Moseley, Michael E Manley, Richard Dronskowski, Volker L Deringer, Ralf P Stoffel, Dimitrios Bessas, Aleksandr I Chumakov, Rudolf Rüffer, Abdelfattah Mahmoud, Craig A Bridges, Luke L Daemen, Yongqiang Cheng, Anibal J Ramirez-Cuesta, Raphaël P Hermann
Phonon Spectroscopy in Antimony and Tellurium Oxides. The journal of physical chemistry. A 124 (39) (2020)
Noam Bernstein, Bishal Bhattarai, Gábor Csányi, David A Drabold, Stephen R Elliott, Volker L Deringer
Quantifying Chemical Structure and Machine-Learned Atomic Energies in Amorphous and Liquid Silicon. Angewandte Chemie (International ed. in English) 58 (21) (2019)
Stefan Strangmüller, Henrik Eickhoff, David Müller, Wilhelm Klein, Gabriele Raudaschl-Sieber, Holger Kirchhain, Christian Sedlmeier, Volodymyr Baran, Anatoliy Senyshyn, Volker L Deringer, Leo van Wüllen, Hubert A Gasteiger, Thomas F Fässler
Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li14SiP6. Journal of the American Chemical Society 141 (36) (2019)
Volker L Deringer, Miguel A Caro, Gábor Csányi
Machine Learning Interatomic Potentials as Emerging Tools for Materials Science. Advanced materials (Deerfield Beach, Fla.) 31 (46) (2019)
Volker L Deringer, Noam Bernstein, Albert P Bartók, Matthew J Cliffe, Rachel N Kerber, Lauren E Marbella, Clare P Grey, Stephen R Elliott, Gábor Csányi
Realistic Atomistic Structure of Amorphous Silicon from Machine-Learning-Driven Molecular Dynamics. The journal of physical chemistry letters 9 (11) (2018)
So Fujikake, Volker L Deringer, Tae Hoon Lee, Marcin Krynski, Stephen R Elliott, Gábor Csányi
Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures. The Journal of chemical physics 148 (24) (2018)
Felix Cosmin Mocanu, Konstantinos Konstantinou, Tae Hoon Lee, Noam Bernstein, Volker L Deringer, Gábor Csányi, Stephen R Elliott
Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential. The journal of physical chemistry. B 122 (38) (2018)
Juraj Mavračić, Felix C Mocanu, Volker L Deringer, Gábor Csányi, Stephen R Elliott
Similarity Between Amorphous and Crystalline Phases: The Case of TiO2. The journal of physical chemistry letters 9 (11) (2018)
Tobias W W Maß, Volker L Deringer, Xavier Gonze, Christophe Bichara, Jean-Yves Raty
Incipient Metals: Functional Materials with a Unique Bonding Mechanism. Advanced materials (Deerfield Beach, Fla.) 30 (51) (2018)
Volker L Deringer, Gábor Csányi, Davide M Proserpio
Extracting Crystal Chemistry from Amorphous Carbon Structures. Chemphyschem : a European journal of chemical physics and physical chemistry 18 (8) (2017)
Volker L Deringer, Janine George, Richard Dronskowski, Ulli Englert
Plane-Wave Density Functional Theory Meets Molecular Crystals: Thermal Ellipsoids and Intermolecular Interactions. Accounts of chemical research 50 (5) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Volker L Deringer