Andrew J. Logsdail
Cardiff University
H-index: 25
Europe-United Kingdom
Top articles of Andrew J. Logsdail
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Roadmap on Data-Centric Materials Science | Matthias Scheffler Stefan Bauer Peter Benner Tristan Bereau Volker Blum | 2024/3/1 | |
Anchoring highly dispersed metal nanoparticles by strong electrostatic adsorption (SEA) on a dealuminated beta zeolite for catalysis | Catalysis Science & Technology | Run Zou Gabriel A Bramley Shanshan Xu Sarayute Chansai Monik Panchal | 2024 |
Exfoliated polymeric carbon nitride nanosheets for photocatalytic applications | ACS Applied Nano Materials | Junhao Huang Marcus Klahn Xinxin Tian Xingchao Dai Jabor Rabeah | 2024/4/1 |
Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations | arXiv preprint arXiv:2403.15625 | Pavel Stishenko Adam McSloy Berk Onat Ben Hourahine Reinhard J Maurer | 2024/3/22 |
Fundamental structural and electronic understanding of palladium catalysts on nitride and oxide supports | Angewandte Chemie | Junhao Huang Marcus Klahn Xinxin Tian Stephan Bartling Anna Zimina | 2024/3/11 |
Multiscale QM/MM modelling of catalytic systems with ChemShell | You Lu Kakali Sen Chin Yong David SD Gunn John A Purton | 2023 | |
Stability of single gold atoms on defective and doped diamond surfaces | The Journal of Physical Chemistry C | Shayantan Chaudhuri Andrew J Logsdail Reinhard J Maurer | 2023/8/7 |
The application of QM/MM simulations in heterogeneous catalysis | Gabriel Adrian Bramley Owain Tomos Beynon Pavel Viktorovich Stishenko Andrew James Logsdail | 2023 | |
Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems | Philosophical Transactions of the Royal Society A | Jingcheng Guan You Lu Kakali Sen Jamal Abdul Nasir Alec W Desmoutier | 2023/7/10 |
Methanol synthesis from CO 2 and H 2 using supported Pd alloy catalysts | Faraday Discussions | Naomi Lawes Isla E Gow Louise R Smith Kieran J Aggett James S Hayward | 2023 |
Investigation of the Pd (1− x) Zn x alloy phase diagram using ab initio modelling approaches | Journal of Physics: Condensed Matter | Lara Kabalan Igor Kowalec Santiago Rigamonti Maria Troppenz Claudia Draxl | 2023/7/7 |
Dataset to support: FHI-aims benchmark for BEEF-vdW, vdW-DF2 and mBEEFvdW | Svenja M Janke Reinhard J Maurer Andrew J Logsdail | 2023/9/25 | |
Atomic Simulation Interface (ASI): application programming interface for electronic structure codes | Journal of Open Source Software | Pavel V Stishenko Thomas W Keal Scott M Woodley Volker Blum Benjamin Hourahine | 2023/5/17 |
Computational study of the solid-state incorporation of Sn (II) Acetate into Zeolite β | The Journal of Physical Chemistry C | Owain T Beynon Alun Owens Giulia Tarantino Ceri Hammond Andrew J Logsdail | 2023/9/15 |
Direct monitoring of the potassium charge carrier in Prussian blue cathodes using potassium K-edge X-ray absorption spectroscopy | Journal of Materials Chemistry A | Alexander J Mayer Owain T Beynon Andrew J Logsdail KG Upul Wijayantha Sandra E Dann | 2023 |
Evaluating the role of anharmonic vibrations in zeolite β materials | The Journal of Physical Chemistry C | Owain T Beynon Alun Owens Christian Carbogno Andrew J Logsdail | 2023/8/7 |
A computational study of direct CO 2 hydrogenation to methanol on Pd surfaces | Physical Chemistry Chemical Physics | Igor Kowalec Lara Kabalan C Richard A Catlow Andrew J Logsdail | 2022 |
Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces | Communications Materials | Shayantan Chaudhuri Samuel J Hall Benedikt P Klein Marc Walker Andrew J Logsdail | 2022/1/28 |
Hydrodeoxygenation of guaiacol over orthorhombic molybdenum carbide: a DFT and microkinetic study | Catalysis Science & Technology | Kushagra Agrawal Alberto Roldan Nanda Kishore Andrew J Logsdail | 2022 |
Materials and molecular modeling at the exascale | Computing in science & engineering | Thomas W Keal Alin-Marin Elena Alexey A Sokol Karen Stoneham Matt IJ Probert | 2022/1/7 |
Co-Authors
