Volker L. Deringer
University of Oxford
H-index: 47
Europe-United Kingdom
Top articles of Volker L. Deringer
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Geometrically frustrated interactions drive structural complexity in amorphous calcium carbonate | Nature Chemistry | Thomas C Nicholas Adam Edward Stones Adam Patel F Marc Michel Richard J Reeder | 2024/1 |
Modelling atomic and nanoscale structure in the silicon–oxygen system through active machine learning | Nature Communications | Linus C Erhard Jochen Rohrer Karsten Albe Volker L Deringer | 2024/3/2 |
High-dimensional order parameters and neural network classifiers applied to amorphous ices | The Journal of Chemical Physics | Zoé Faure Beaulieu Volker L Deringer Fausto Martelli | 2024/2/28 |
Synthetic pre-training for neural-network interatomic potentials | Machine Learning: Science and Technology | John LA Gardner Kathryn T Baker Volker L Deringer | 2024/1/10 |
Atom-by-Atom Mapping and Understanding of In-Plane Anisotropy in GaTe | arXiv preprint arXiv:2401.03731 | Jieling Tan Jiang-Jing Wang Hang-Ming Zhang Han-Yi Zhang Heming Li | 2024/1/8 |
Understanding Defects in Amorphous Silicon with Million‐Atom Simulations and Machine Learning | Angewandte Chemie | Joe D Morrow Chinonso Ugwumadu David A Drabold Stephen R Elliott Andrew L Goodwin | 2023 |
Cross-platform hyperparameter optimization for machine learning interatomic potentials | The Journal of Chemical Physics | Daniel F Thomas du Toit Volker L Deringer | 2023/7/14 |
Coarse-grained versus fully atomistic machine learning for zeolitic imidazolate frameworks | Chemical Communications | Zoé Faure Beaulieu Thomas C Nicholas John LA Gardner Andrew L Goodwin Volker L Deringer | 2023 |
A foundation model for atomistic materials chemistry | arXiv preprint arXiv:2401.00096 | Ilyes Batatia Philipp Benner Yuan Chiang Alin M Elena Dávid P Kovács | 2023/12/29 |
Structure and Bonding in Amorphous Red Phosphorus | Angewandte Chemie International Edition | Yuxing Zhou Stephen R Elliott Volker L Deringer | 2023/6/12 |
Robustness of local predictions in atomistic machine learning models | Journal of Chemical Theory and Computation | Sanggyu Chong Federico Grasselli Chiheb Ben Mahmoud Joe D Morrow Volker L Deringer | 2023/11/10 |
Synthetic data enable experiments in atomistic machine learning | Digital Discovery | John LA Gardner Zoé Faure Beaulieu Volker L Deringer | 2023 |
Simulations in the era of exascale computing | Choongseok Chang Volker L Deringer Kalpana S Katti Veronique Van Speybroeck Christopher M Wolverton | 2023/5 | |
Device-scale atomistic modelling of phase-change memory materials | Nature Electronics | Yuxing Zhou Wei Zhang En Ma Volker L Deringer | 2023/9/25 |
How to validate machine-learned interatomic potentials | The Journal of Chemical Physics | Joe D Morrow John LA Gardner Volker L Deringer | 2023/3/28 |
Spin Glass Behavior in Amorphous Cr2Ge2Te6 Phase‐Change Alloy | Advanced Science | Xiaozhe Wang Suyang Sun Jiang‐Jing Wang Shuang Li Jian Zhou | 2023/8 |
Surface effects on the crystallization kinetics of amorphous antimony | Nanoscale | Xueyang Shen Yuxing Zhou Hanyi Zhang Volker L Deringer Riccardo Mazzarello | 2023 |
Machine-learned acceleration for molecular dynamics in CASTEP | The Journal of Chemical Physics | Tamás K Stenczel Zakariya El-Machachi Guoda Liepuoniute Joe D Morrow Albert P Bartók | 2023/7/28 |
A machine-learned interatomic potential for silica and its relation to empirical models | npj Computational Materials | Linus C Erhard Jochen Rohrer Karsten Albe Volker L Deringer | 2022/4/28 |
Unraveling Crystallization Mechanisms and Electronic Structure of Phase‐Change Materials by Large‐Scale Ab Initio Simulations | Advanced Materials | Yazhi Xu Yuxing Zhou Xu‐Dong Wang Wei Zhang En Ma | 2022/3 |
Co-Authors
