Andrew James Logsdail (A J Logsdail, Andrew Logsdail, Andrew J Logsdail)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 23

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. C, Nanomaterials and interfaces

Angewandte Chemie (International ed. in English)

Faraday discussions

Cardiff University

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

Affiliation History

Cardiff University Oct 01 2016

United Kingdom

Lecturer in Catalytic and Computational Chemistry :: School of Chemistry

Publications

Matthew Lindley, Pavel Stishenko, James W M Crawley, Fred Tinkamanyire, Matthew Smith, James Paterson, Mark Peacock, Zhuoran Xu, Christopher Hardacre, Alex S Walton, Andrew James Logsdail, Sarah J Haigh
Tuning the Size of TiO 2 -Supported Co Nanoparticle Fischer-Tropsch Catalysts Using Mn Additions. ACS catalysis 14 (14) (2024)
Junhao Huang, Marcus Klahn, Xin-Xin Tian, Stephan Bartling, Anna Zimina, Martin Radtke, Nils Rockstroh, Pawel Naliwajko, Norbert Steinfeldt, Tim Peppel, Jan-Dierk Grunwaldt, Andrew James Logsdail, Haijun Jiao, Jennifer Strunk
Fundamental Structural and Electronic Understanding of Palladium Catalysts on Nitride and Oxide Supports. Angewandte Chemie (International ed. in English) (2024)
Junhao Huang, Marcus Klahn, Xin-Xin Tian, Stephan Bartling, Anna Zimina, Martin Radtke, Nils Rockstroh, Pawel Naliwajko, Norbert Steinfeldt, Tim Peppel, Jan-Dierk Grunwaldt, Andrew James Logsdail, Haijun Jiao, Jennifer Strunk
Fundamental Structural and Electronic Understanding of Palladium Catalysts on Nitride and Oxide Supports. Angewandte Chemie (International ed. in English) 63 (20) (2024)
Gabriel Adrian Bramley, Owain Tomos Beynon, Pavel Viktorovich Stishenko, Andrew James Logsdail
The application of QM/MM simulations in heterogeneous catalysis. Physical chemistry chemical physics : PCCP (2023)
Lara Kabalan, Igor Kowalec, Santiago Rigamonti, Maria Troppenz, Claudia Draxl, Richard Catlow, Andrew James Logsdail
Investigation of the Pd (1- x ) Zn x alloy phase diagram using ab initio modelling approaches. Journal of physics. Condensed matter : an Institute of Physics journal (2023)
Shayantan Chaudhuri, Andrew James Logsdail, Reinhard J Maurer
Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (32) (2023)
Jingcheng Guan, You Lu, Kakali Sen, Jamal Abdul Nasir, Alec W Desmoutier, Qing Hou, Xingfan Zhang, Andrew James Logsdail, Gargi Dutta, Andrew M Beale, Richard W Strange, Chin Weng Yong, Paul Sherwood, Hans M Senn, C Richard A Catlow, Thomas W Keal, Alexey A Sokol
Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems. Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 381 (2250) (2023)
Owain Tomos Beynon, Alun Owens, Christian Carbogno, Andrew James Logsdail
Evaluating the Role of Anharmonic Vibrations in Zeolite β Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (32) (2023)
Owain Tomos Beynon, Alun Owens, Giulia Tarantino, Ceri Hammond, Andrew James Logsdail
Computational Study of the Solid-State Incorporation of Sn(II) Acetate into Zeolite β. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (38) (2023)
You Lu, Kakali Sen, Chin Weng Yong, David S D Gunn, John A Purton, Jingcheng Guan, Alec Desmoutier, Jamal Abdul Nasir, Xingfan Zhang, Lei Zhu, Qing Hou, Joe Jackson-Masters, Sam Watts, Rowan Hanson, Harry N Thomas, Omal Jayawardena, Andrew James Logsdail, Scott M Woodley, Hans Martin Senn, Paul Sherwood, C Richard A Catlow, Alexey A Sokol, Thomas W Keal
Multiscale QM/MM modelling of catalytic systems with ChemShell. Physical chemistry chemical physics : PCCP (2023)
Gabriel Adrian Bramley, Owain Tomos Beynon, Pavel Viktorovich Stishenko, Andrew James Logsdail
The application of QM/MM simulations in heterogeneous catalysis. Physical chemistry chemical physics : PCCP 25 (9) (2023)
Igor Kowalec, Lara Kabalan, C Richard A Catlow, Andrew James Logsdail
A computational study of direct CO 2 hydrogenation to methanol on Pd surfaces. Physical chemistry chemical physics : PCCP 24 (16) (2022)
Naomi Lawes, Isla E Gow, Louise R Smith, Kieran J Aggett, James S Hayward, Lara Kabalan, Andrew James Logsdail, Thomas J A Slater, Malcolm Dearg, David J Morgan, Nicholas F Dummer, Stuart H Taylor, Michael Bowker, C Richard A Catlow, Graham John Hutchings
Methanol synthesis from CO 2 and H 2 using supported Pd alloy catalysts. Faraday discussions (2022)
Christopher J H Smalley, Harriet E Hoskyns, Colan E Hughes, Duncan N Johnstone, Tom Willhammar, Mark T Young, Christopher J Pickard, Andrew James Logsdail, Paul A Midgley, Kenneth D M Harris
A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of l-tyrosine. Chemical science 13 (18) (2022)
Michael Bowker, Naomi Lawes, Isla Gow, James Hayward, Jonathan Ruiz Esquius, Nia Richards, Louise R Smith, Thomas J A Slater, Thomas E Davies, Nicholas F Dummer, Lara Kabalan, Andrew James Logsdail, Richard C Catlow, Stuart H Taylor, Graham John Hutchings
The Critical Role of βPdZn Alloy in Pd/ZnO Catalysts for the Hydrogenation of Carbon Dioxide to Methanol. ACS catalysis 12 (9) (2022)
James W M Crawley, Isla E Gow, Naomi Lawes, Igor Kowalec, Lara Kabalan, C Richard A Catlow, Andrew James Logsdail, Stuart H Taylor, Nicholas F Dummer, Graham John Hutchings
Heterogeneous Trimetallic Nanoparticles as Catalysts. Chemical reviews 122 (6) (2022)
Toyin Omojola, Andrew James Logsdail, André C van Veen, Stefan-Adrian F Nastase
A quantitative multiscale perspective on primary olefin formation from methanol. Physical chemistry chemical physics : PCCP 23 (38) (2021)
Christopher J H Smalley, Andrew James Logsdail, Colan E Hughes, Dinu Iuga, Mark T Young, Kenneth D M Harris
Solid-State Structural Properties of Alloxazine Determined from Powder XRD Data in Conjunction with DFT-D Calculations and Solid-State NMR Spectroscopy: Unraveling the Tautomeric Identity and Pathways for Tautomeric Interconversion. Crystal growth & design 22 (1) (2021)
Mala A Sainna, Sachin Nanavati, Constance Black, Louise R Smith, Karl Mugford, Harry Jenkins, Mark Douthwaite, Nicholas F Dummer, C Richard A Catlow, Graham John Hutchings, Stuart H Taylor, Andrew James Logsdail, David J Willock
A combined periodic DFT and QM/MM approach to understand the radical mechanism of the catalytic production of methanol from glycerol. Faraday discussions 229 (2021)
Santhosh K Matam, Stefan A F Nastase, Andrew James Logsdail, C Richard A Catlow
Methanol loading dependent methoxylation in zeolite H-ZSM-5. Chemical science 11 (26) (2020)
Edoardo Apra, Eric J Bylaska, Wibe A de Jong, Niranjan Govind, Karol Kowalski, T P Straatsma, Marat Valiev, H J J van Dam, Yuri Alexeev, J Anchell, V Anisimov, F W Aquino, R Atta-Fynn, Jochen Autschbach, Nicholas P Bauman, J C Becca, D E Bernholdt, K Bhaskaran-Nair, S Bogatko, P Borowski, J Boschen, J Brabec, A Bruner, E Cauët, Y Chen, Gennady N Chuev, Christopher J Cramer, J Daily, M J O Deegan, Thom H Dunning, Michel Dupuis, K G Dyall, G I Fann, S A Fischer, A Fonari, H Früchtl, Soumen Ghosh, J Garza, N Gawande, Soumen Ghosh, K Glaesemann, Andreas W Götz, Jeff R Hammond, Volkhard Helms, E D Hermes, K Hirao, So Hirata, M Jacquelin, Lasse Jensen, B G Johnson, Hannes Jónsson, R A Kendall, M Klemm, Rika Kobayashi, V Konkov, S Krishnamoorthy, M Krishnan, Z Lin, R D Lins, R J Littlefield, Andrew James Logsdail, Kenneth Lopata, W Ma, A V Marenich, Jorge M Del Campo, Daniel Mejía-Rodríguez, J E Moore, J M Mullin, Takahito Nakajima, D R Nascimento, J A Nichols, P J Nichols, J Nieplocha, A Otero-de-la-Roza, B Palmer, Ajay Panyala, Teerapong Pirojsirikul, Bo Peng, Roberto Peverati, J Pittner, L Pollack, Ryan M Richard, P Sadayappan, George C Schatz, W A Shelton, D W Silverstein, D M A Smith, Thereza A Soares, Duo Song, Marcel Swart, H L Taylor, G S Thomas, V Tipparaju, Donald G Truhlar, K Tsemekhman, T Van Voorhis, Á Vázquez-Mayagoitia, Prakash Verma, O Villa, A Vishnu, K D Vogiatzis, Dunyou Wang, J H Weare, Mark J Williamson, T L Windus, K Woliński, A T Wong, Qin Wu, C Yang, Q Yu, M Zacharias, Zhiyong Zhang, Yan Zhao, R J Harrison
NWChem: Past, present, and future. The Journal of chemical physics 152 (18) (2020)
Meenakshisundaram Sankar, Qian He, Rebecca V Engel, Mala A Sainna, Andrew James Logsdail, Alberto Roldan, David J Willock, Nishtha Agarwal, Christopher J Kiely, Graham John Hutchings
Role of the Support in Gold-Containing Nanoparticles as Heterogeneous Catalysts. Chemical reviews 120 (8) (2020)
You Lu, Matthew R Farrow, Pierre Fayon, Andrew James Logsdail, Alexey A Sokol, C Richard A Catlow, Paul Sherwood, Thomas W Keal
Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment. Journal of chemical theory and computation 15 (2) (2019)

Andrew James Logsdail.css-eqlu8i{font-size:small;padding-left:4px;} (A J Logsdail, Andrew Logsdail, Andrew J Logsdail)

Publication Activity (10 Years)

Top Topics

Top Venues

Andrew James Logsdail (A J Logsdail, Andrew Logsdail, Andrew J Logsdail)