Chaudhari, Amit, Stishenko, Pavel, Hiregange, Akash, Hawkins, Christopher R., Sarwar, Misbah, Poulston, Stephen and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X
2026.
Ab initio insights into support-induced sulfur resistance of Ni-based reforming catalysts.
Catalysis Science & Technology
10.1039/d5cy01279a
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Chaudhari, Amit, Agrawal, Kushagra and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X
2025.
Machine learning generalised DFT+ U projectors in a numerical atom-centred orbital framework.
Digital Discovery
4
(12)
, pp. 3701-3727.
10.1039/d5dd00292c
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Chaudhari, Amit, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X and Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606
2025.
Polymorph-induced reducibility and electron trapping energetics of Nb and W Dopants in TiO2.
The Journal of Physical Chemistry C
129
(34)
, pp. 15453-15461.
10.1021/acs.jpcc.5c04364
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