Julian D Gale

21PUBLICATIONS
96CO-AUTHORS
Theoretical quantum chemistryCompound semiconductorsComputational chemistryReaction kinetics and dynamicsSemi- and unsupervised learning
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Publications (21)

|Nov 07, 2025
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water.

Niamh O'Neill, Benjamin X Shi, William J Baldwin

|Oct 06, 2025
Ab initio machine-learning simulation of calcium carbonate from aqueous solutions to the solid state.

Pablo M Piaggi, Julian D Gale, Paolo Raiteri

|May 30, 2025
Atomistic insight into the interaction of aspartic acid species with calcium carbonate: model development.

Raffaella Demichelis, Blake I Armstrong, Paolo Raiteri

|Mar 04, 2025
PLUMED Tutorials: A collaborative, community-driven learning ecosystem.

Gareth A Tribello, Massimiliano Bonomi, Giovanni Bussi

|Apr 18, 2024
Redefined ion association constants have consequences for calcium phosphate nucleation and biomineralization.

David P McDonogh, Julian D Gale, Paolo Raiteri

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