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J

Julian D. Gale

Curtin University

77H-index
448Paper Count
3.6WCitation Count
Published Papers 140
Publication Date
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Reconstruction of the {1014} Calcite Surface: When, How, and Why
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-12-01
err0
PREAI
errDemichelis, Raffaella; Raiteri, Paolo; Gale, Julian D.
errShare
errSave
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water
errJournal of Chemical Theory and Computation
IF5.5
err2025-11-07
err0
errOAAI
errNiamh O’Neill; Benjamin X. Shi; William J. Baldwin; William C. Witt; Gábor Csányi; Julian D. Gale; Angelos Michaelides; Christoph Schran
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errSave
Observation of a guest-free Si46 clathrate-I framework from Ba8-xSi46 upon in situ vacuum heating
errNature Communications
IF15.7
err2025-10-17
err0
errOAAI
errYi Zhou; Qing Zhang; Alvaro Mayoral; Peter R. Spackman; Takashi Matsumoto; Jun Li; Julian D. Gale; Michael W. Anderson; Hiroshi Fukuoka; Shoji Yamanaka; Osamu Terasaki
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errSave
Atomistic insight into the interaction of aspartic acid species with calcium carbonate: model development
errFaraday Discuss.
IF3.1
err2025-09-30
err0
PREAI
errRaffaella Demichelis; Blake I. Armstrong; Paolo Raiteri; Julian D. Gale
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errSave
PLUMED Tutorials: A collaborative, community-driven learning ecosystem
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-07
err1
PREAI
errTribello, Gareth A.; Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Armstrong, Blake I.; Arsiccio, Andrea; Aureli, Simone; Ballabio, Federico; Bernetti, Mattia; Bonati, Luigi; Brookes, Samuel G. H.; Brotzakis, Z. Faidon; Capelli, Riccardo; Ceriotti, Michele; Chan, Kam-Tung; Cossio, Pilar; Dasetty, Siva; Donadio, Davide; Ensing, Bernd; Ferguson, Andrew L.; Fraux, Guillaume; Gale, Julian D.; Gervasio, Francesco Luigi; Giorgino, Toni; Herringer, Nicholas S. M.; Hocky, Glen M.; Hoff, Samuel E.; Invernizzi, Michele; Languin-Cattoen, Olivier; Leone, Vanessa; Limongelli, Vittorio; Lopez-Acevedo, Olga; Marinelli, Fabrizio; Febrer Martinez, Pedro; Masetti, Matteo; Mehdi, Shams; Michaelides, Angelos; Murtada, Mhd Hussein; Parrinello, Michele; Piaggi, Pablo M.; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Pritchard, Claire; Raiteri, Paolo; Raniolo, Stefano; Rapetti, Daniele; Rizzi, Valerio; Rydzewski, Jakub; Salvalaglio, Matteo; Schran, Christoph; Seal, Aniruddha; Shayesteh Zadeh, Armin; Silva, Tomas F. D.; Spiwok, Vojtech; Stirnemann, Guillaume; Sucerquia, Daniel; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew D.; Wu, Jiangbo
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Thermodynamics of Magnesium Binding at Calcite Kink Sites and Implications for Growth inhibition
errCRYSTAL GROWTH & DESIGN
IF3.4
err2024-10-10
err0
PREAI
errAufort, Julie; Armstrong, Blake I.; Raiteri, Paolo; Gale, Julian D.
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errSave
Redefined ion association constants have consequences for calcium phosphate nucleation and biomineralization
errNATURE COMMUNICATIONS
IF15.7
err2024-04-18
err1
errOAAI
errMcDonogh, David P.; Gale, Julian D.; Raiteri, Paolo; Gebauer, Denis
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errSave
Determining the Complete Stability of Calcite Kink Sites: Real vs Ideal
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-07-05
err4
PREAI
errArmstrong, Blake I.; Silvestri, Alessandro; De La Pierre, Marco; Raiteri, Paolo; Gale, Julian D.
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Solubility-consistent force field simulations for aqueous metal carbonate systems using graphical processing units
errPHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
IF3.7
err2023-05-22
err6
errOAAI
errArmstrong, Blake; Silvestri, Alessandro; Demichelis, Raffaella; Raiteri, Paolo; Gale, Julian D.
errShare
errSave
CrystalClear: an open, modular protocol for predicting molecular crystal growth from solution
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err9
errOAAI
errSpackman, Peter R. R.; Walisinghe, Alvin J. J.; Anderson, Michael W. W.; Gale, Julian D. D.
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errSave
Monitoring the Dissolution and Hydrolysis of Pyrosulfate by Electrochemistry at a Liquid-Liquid Microinterface Array
errCHEMELECTROCHEM
IF3.5
err2022-11-11
err0
errOAAI
errHenares, Terence G.; Gale, Julian D.; Herzog, Gregoire; Arrigan, Damien W. M.
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errSave
Obtaining Consistent Free Energies for Ion Binding at Surfaces from Solution: Pathways versus Alchemy for Determining Kink Site Stability
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-08
err13
PREAI
errSilvestri, Alessandro; Raiteri, Paolo; Gale, Julian D.
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errSave
Crystal Nucleation and Growth of Inorganic Ionic Materials from Aqueous Solution: Selected Recent Developments, and Implications
errSMALL
IF12.1
err2022-06-09
err41
errOAAI
errGebauer, Denis; Gale, Julian D.; Coelfen, Helmut
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errSave
Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite
errCRYSTAL GROWTH & DESIGN
IF3.4
err2022-01-18
err10
errOAAI
errAufort, Julie; Schuitemaker, Alicia; Green, Rebecca; Demichelis, Raffaella; Raiteri, Paolo; Gale, Julian D.
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A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-11-04
err22
errOAAI
errGale, Julian D.; LeBlanc, Luc M.; Spackman, Peter R.; Silvestri, Alessandro; Raiteri, Paolo
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Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface?
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-09-27
err6
errOAAI
errSongen, Hagen; Silvestri, Alessandro; Roshni, Tasnim; Klassen, Stefanie; Bechstein, Ralf; Raiteri, Paolo; Gale, Julian D.; Kuhnle, Angelika
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Structure and Surface Complexation at the Calcite(104)-Water Interface
errENVIRONMENTAL SCIENCE & TECHNOLOGY
IF11.3
err2021-09-03
err18
errOAAI
errHeberling, Frank; Klacic, Tin; Raiteri, Paolo; Gale, Julian D.; Eng, Peter J.; Stubbs, Joanne E.; Gil-Diaz, Teba; Begovic, Tajana; Luetzenkirchen, Johannes
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Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2021-06-18
err30
errOAAI
errHuang, Yu-Chieh; Rao, Ashit; Huang, Shing-Jong; Chang, Chun-Yu; Drechsler, Markus; Knaus, Jennifer; Chan, Jerry Chun Chung; Raiteri, Paolo; Gale, Julian D.; Gebauer, Denis
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Zinc Ions Modify Calcium Oxalate Growth by Distinct Transformation of Crystal Surface Termination
errCRYSTAL GROWTH & DESIGN
IF3.4
err2021-05-12
err16
PREAI
errAlamani, Bryan G.; Gale, Julian D.; Rimer, Jeffrey D.
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errSave
CrystalGrower: a generic computer program for Monte Carlo modelling of crystal growth
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err29
errOAAI
errHill, Adam R.; Cubillas, Pablo; Gebbie-Rayet, James T.; Trueman, Mollie; de Bruyn, Nathan; Harthi, Zulaikha al; Pooley, Rachel J. S.; Attfield, Martin P.; Blatov, Vladislav A.; Proserpio, Davide M.; Gale, Julian D.; Akporiaye, Duncan; Arstad, Bjornar; Anderson, Michael W.
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Research Directions

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Co-authors
Cooperation Journals
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H-index: 183 · Papers: 1.6K
M
Michele Parrinello
H-index: 155 · Papers: 924
G
Gao Qing Lu
H-index: 146 · Papers: 929
L
Lianzhou Wang
H-index: 132 · Papers: 933
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