Alastair J A Price
6PUBLICATIONS
69CO-AUTHORS
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Publications (6)
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|Jan 31, 2025
Adapting hybrid density functionals with machine learning.Danish Khan, Alastair J A Price, Bing Huang
|Oct 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods.Lily M Hunnisett, Nicholas Francia, Jonas Nyman
|Oct 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods.Lily M Hunnisett, Jonas Nyman, Nicholas Francia
|Oct 15, 2024
Assessment of the exchange-hole dipole moment dispersion correction for the energy ranking stage of the seventh crystal structure prediction blind test.R Alex Mayo, Alastair J A Price, Alberto Otero-de-la-Roza
|Feb 09, 2023
XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal lattice energies with unprecedented accuracy.Alastair J A Price, Alberto Otero-de-la-Roza, Erin R Johnson
|Dec 01, 2022
Small molecule binding to surface-supported single-site transition-metal reaction centres.M DeJong, A J A Price, E Mårsell
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Frequent Collaborators
5 joint publications
Erin R Johnson
2 joint publications
Simon J Coles
2 joint publications
Sarah M Clarke
2 joint publications
Richard I Cooper
2 joint publications
Joseph Cadden
2 joint publications
Nicholas Francia
2 joint publications
Nathan S Abraham
2 joint publications
Patrick W V Butler
2 joint publications
A Daniel Boese
2 joint publications
Doris E Braun
