Personal information

carbon nanotubes, ionic liquids, computational chemistry, quantum chemistry, density functional theory, density functional tight binding

Biography

After receiving undergraduate and PhD qualifications from The University of Newcastle, I have held postdoctoral positions at The University of Newcastle (Australia) and Kyoto University (Japan), and held a Fukui Fellowship at the Fukui Institute for Fundamental Chemistry (Kyoto University) between 2009 and 2012. In 2012 I took on a University Fellowship at The University of Newcastle in the Discipline of Chemical Engineering (Priority Research Centre for Energy), before taking on a Lectureship in the Discipline of Chemistry. My research focuses on the investigation of chemical phenomena using non-equilibrium molecular dynamics and quantum chemical methods. My research has resulted in the publication of 1 book, 2 book chapters and over 60 internationally peer-reviewed journal and conference papers. My research has recently been featured on the cover of Accounts of Chemical Research, Journal of Physical Chemistry and ChemPhysChem.

Activities

Employment (5)

University of Newcastle: Callaghan, NSW, AU

2019 to present | Associate Professor (Discipline of Chemistry)
Employment
Source: Self-asserted source
Alister Page

University of Newcastle: Callaghan, NSW, AU

2016 to 2018 | Senior Lecturer (Discipline of Chemistry)
Employment
Source: Self-asserted source
Alister Page

The University of Newcastle, Australia: Callaghan, NSW, AU

2013 to 2015 | Lecturer (Discipline of Chemistry)
Employment
Source: Self-asserted source
Alister Page

University of Newcastle: Callaghan, NSW, AU

2012 to 2013 | University Research Fellow (Faculty of Engineering)
Employment
Source: Self-asserted source
Alister Page

Kyoto University: Kyoto, JP

2009 to 2012 | Fukui Postdoctoral Fellow (Fukui Institute for Fundamental Chemistry)
Employment
Source: Self-asserted source
Alister Page

Education and qualifications (2)

The University of Newcastle, Australia: Callaghan, NSW, AU

BMath/BSc (Chem) (HONS I)
Education
Source: Self-asserted source
Alister Page

The University of Newcastle, Australia: Callaghan, NSW, AU

2005 to 2008 | PhD
Education
Source: Self-asserted source
Alister Page

Professional activities (9)

Elsevier BV: Amsterdam, Noord-Holland, NL

2017 to present | Member, Editorial Advisory Board, Chemical Data Collections
Service
Source: Self-asserted source
Alister Page

Nature Publishing Group: London, London, GB

2016 to present | Member, Editorial Board, Scientific Reports
Service
Source: Self-asserted source
Alister Page

Frontiers Media SA: Lausanne, VD, CH

2014 to present | Member, Review Editorial Board, Frontiers in Chemistry
Service
Source: Self-asserted source
Alister Page

Frontiers Media SA: Lausanne, VD, CH

2014 to present | Member, Review Editorial Board, Frontiers in Materials
Service
Source: Self-asserted source
Alister Page

Materials Research Society: Boston, US

2013-03 to present | Member
Membership
Source: Self-asserted source
Alister Page

American Chemical Society: Boston, US

2008-01 to present | Member
Membership
Source: Self-asserted source
Alister Page

Royal Australian Chemical Institute: Canberra, AU

2005-05 to present | Member
Membership
Source: Self-asserted source
Alister Page

Australian Academy of Sciences: Canberra, AU

2019-07 | Rod Rickards Fellowship
Distinction
Source: Self-asserted source
Alister Page

Australian Academy of Technology and Engineering : Canberra, AU

2018-07 | Australia-China Young Scientists Exchange Program Award
Distinction
Source: Self-asserted source
Alister Page

Funding (10)

Unravelling the dominant drivers of ion specificity

2019-01-01 to 2021-12-31 | Grant
Australian Research Council (Canberra, AU)
GRANT_NUMBER: DP190100788
Source: Self-asserted source
Alister Page via DimensionsWizard

Investigation of an efficient synthetic pathway for LP6224 and LP6225

2018 to 2019 | Grant
NSW Department of Industry (Sydney, AU)
Source: Self-asserted source
Alister Page

Modelling Redox Metal Oxides for New Solar Thermal Energy Storage

2016 to 2019 | Grant
Australian Renewable Energy Agency (ACT, ACT, AU)
Source: Self-asserted source
Alister Page

Accelerated molecular simulations for selective carbon nanotube growth

2014-01-01 to 2016-12-31 | Grant
Australian Research Council (Canberra, AU)
GRANT_NUMBER: DP140102894
Source: Self-asserted source
Alister Page via DimensionsWizard

Quantum Chemical Simulation of Interfacial Chemical Phenomena

2014 to 2019 | Grant
INTERSECT (Sydney, AU)
Source: Self-asserted source
Alister Page

Quantum Chemical Modelling of Nanoscale Chemical Processes

2013 to 2019 | Grant
National Computational Infrastructure (ACT, ACT, AU)
Source: Self-asserted source
Alister Page

Molecular Simulations for Chirality-Controlled Carbon Nanotube Growth

2013 to 2014 | Grant
Japan Society for the Promotion of Science (Tokyo, JP)
GRANT_NUMBER:

13039901-000174

Source: Self-asserted source
Alister Page

Thermodynamic vs Kinetic Control in Nanostructure Growth and Degradation

2013 to 2014 | Grant
National Institute for Computational Science (Washington, US)
Source: Self-asserted source
Alister Page

Theoretical and Numerical Simulations of Nanoscale Chemical Processes

2012 to 2013 | Salary award
University of Newcastle Australia (Callaghan, NSW, AU)
GRANT_NUMBER:

University Research Fellow

Source: Self-asserted source
Alister Page

Quantum Chemical Simulation of Nanocarbon Self-Assembly

2010 to 2012 | Salary award
Kyoto University (Kyoto, JP)
GRANT_NUMBER:

Fukui Fellowship

Source: Self-asserted source
Alister Page

Works (50 of 129)

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Page 1 of 3

A first-principles alternative to empirical solvent parameters

Physical Chemistry Chemical Physics
2024 | Journal article
Contributors: Kasimir P. Gregory; Erica J. Wanless; Grant B. Webber; Vincent S. J. Craig; Alister J. Page
Source: check_circle
Crossref

Stability and Electronic Structure of Double-Walled Transition Metal Dichalcogenide Nanotubes

The Journal of Physical Chemistry C
2024-09-19 | Journal article
Contributors: Daniel S. Vadseth; Josh J. Brown; Shigeo Maruyama; Alister J. Page
Source: check_circle
Crossref

Dynamic Ion Correlations and Ion-Pair Lifetimes in Aqueous Alkali Metal Chloride Electrolytes

The Journal of Physical Chemistry B
2024-08-01 | Journal article
Contributors: Gareth R. Elliott; Erica J. Wanless; Grant B. Webber; Gunther G. Andersson; Vincent S. J. Craig; Alister J. Page
Source: check_circle
Crossref

Accurate and Efficient Computation of the Fundamental Bandgap of the Vacancy-Ordered Double Perovskite Cs2TiBr6

The Journal of Physical Chemistry C
2024-06-06 | Journal article
Contributors: J. E. Ingall; Edward Linscott; Nicola Colonna; Alister J. Page; Vicki J. Keast
Source: check_circle
Crossref

The known-unknowns of anomalous underscreening in concentrated electrolytes

Chemical Physics Letters
2024-05 | Journal article
Contributors: Gareth R. Elliott; Kasimir P. Gregory; Hayden Robertson; Vincent S.J. Craig; Grant B. Webber; Erica J. Wanless; Alister J. Page
Source: check_circle
Crossref

Discovery of Graphene Growth Alloy Catalysts Using High-Throughput Machine Learning

Nano Letters
2023-11-08 | Journal article
Contributors: Xinyu Li; Javen Qinfeng Shi; Alister J. Page
Source: check_circle
Crossref

High-Throughput Aqueous Electrolyte Structure Prediction Using IonSolvR and Equivariant Graph Neural Network Potentials

The Journal of Physical Chemistry Letters
2023-10-26 | Journal article
Contributors: Sophie Baker; Joshua Pagotto; Timothy T. Duignan; Alister J. Page
Source: check_circle
Crossref

Hofmeister effects influence bulk nanostructure in a protic ionic liquid

Journal of Colloid and Interface Science
2023-09 | Journal article
Part of ISSN: 0021-9797
Contributors: Thomas Bourke; Kasimir P. Gregory; Alister J. Page
Source: Self-asserted source
Alister Page

Specific Ion Effects at the Vapor–Formamide Interface: A Reverse Hofmeister Series in Ion Concentration Depth Profiles

Langmuir
2023-09-12 | Journal article
Contributors: Anand Kumar; Vincent S. J. Craig; Hayden Robertson; Alister J. Page; Grant B. Webber; Erica J. Wanless; Valerie D. Mitchell; Gunther G. Andersson
Source: check_circle
Crossref

A graph neural network model with local environment pooling for predicting adsorption energies

Computational and Theoretical Chemistry
2023-08 | Journal article
Part of ISSN: 2210-271X
Contributors: Xinyu Li; Raymond Chiong; Zhongyi Hu; Alister J. Page
Source: Self-asserted source
Alister Page

Density functional theory modeling of critical properties of perovskite oxides for water splitting applications

WIREs Energy and Environment
2023-07 | Journal article
Contributors: Krishna K. Ghose; Joshua J. Brown; Terry J. Frankcombe; Alister Page; Alicia Bayon
Source: check_circle
Crossref

Decomposing Hofmeister effects on amino acid residues with symmetry adapted perturbation theory

Electronic Structure
2023-03-01 | Journal article
Contributors: Kasimir P Gregory; Grant B Webber; Erica J Wanless; Alister J Page
Source: check_circle
Crossref

Understanding specific ion effects and the Hofmeister series

Physical Chemistry Chemical Physics
2022 | Journal article
Contributors: Kasimir P. Gregory; Gareth R. Elliott; Hayden Robertson; Anand Kumar; Erica J. Wanless; Grant B. Webber; Vincent S. J. Craig; Gunther G. Andersson; Alister J. Page
Source: check_circle
Crossref

Role of Graphitic Bowls in Temperature Dependent Fullerene Formation

The Journal of Physical Chemistry A
2022-12-08 | Journal article
Contributors: Izaac Mitchell; Lu Qiu; Alister Page; Lowell D. Lamb; Feng Ding
Source: check_circle
Crossref

Ion specificity in the measured concentration depth profile of ions at the Vapor-Glycerol interface

Journal of Colloid and Interface Science
2022-11 | Journal article
Part of ISSN: 0021-9797
Contributors: Anand Kumar; Vincent S.J. Craig; Alister J. Page; Grant B. Webber; Erica J. Wanless; Gunther Andersson
Source: Self-asserted source
Alister Page via Crossref Metadata Search
grade
Preferred source (of 2)‎

A quantum chemical molecular dynamics repository of solvated ions

Scientific Data
2022-07-21 | Journal article
Contributors: Kasimir P. Gregory; Gareth R. Elliott; Erica J. Wanless; Grant B. Webber; Alister J. Page
Source: check_circle
Crossref

First-principles thermochemical properties of hexagonal and cubic phase BaMnO3

Materials Today Communications
2022-06 | Journal article
Part of ISSN: 2352-4928
Contributors: Krishna K. Ghose; Alicia Bayon; Alister J. Page
Source: Self-asserted source
Alister Page via Crossref Metadata Search

Why Carbon Nanotubes Grow

Journal of the American Chemical Society
2022-03-30 | Journal article
Contributors: Li Ping Ding; Ben McLean; Ziwei Xu; Xiao Kong; Daniel Hedman; Lu Qiu; Alister J. Page; Feng Ding
Source: check_circle
Crossref

Dithiocarbazate Ligand‐Based Cu(II), Ni(II), and Zn(II) Complexes: Synthesis, Structural Investigations, Cytotoxicity, DNA Binding, and Molecular Docking Studies

Bioinorganic Chemistry and Applications
2022-01 | Journal article
Contributors: Enis Nadia Md Yusof; Mohammad Azam; Siti Syaida Sirat; Thahira B. S. A. Ravoof; Alister J. Page; Abhi Veerakumarasivam; Thiruventhan Karunakaran; Mohd Rizal Razali; Anastasios Keramidas
Source: check_circle
Crossref

Anion ordering and vacancy defects in niobium perovskite oxynitrides

Materials Advances
2021 | Journal article
Contributors: Joshua J. Brown; Youxiang Shao; Zhuofeng Ke; Alister J. Page
Source: check_circle
Crossref

The electrostatic origins of specific ion effects: quantifying the Hofmeister series for anions

Chemical Science
2021 | Journal article
Contributors: Kasimir P. Gregory; Erica J. Wanless; Grant B. Webber; Vincent S. J. Craig; Alister J. Page
Source: check_circle
Crossref

Deep eutectic solvents—The vital link between ionic liquids and ionic solutions

The Journal of Chemical Physics
2021-10-21 | Journal article
Contributors: Andrew P. Abbott; Karen J. Edler; Alister J. Page
Source: check_circle
Crossref

Low-Cost Pt Alloys for Heterogeneous Catalysis Predicted by Density Functional Theory and Active Learning

The Journal of Physical Chemistry Letters
2021-08-05 | Journal article
Contributors: Xinyu Li; Raymond Chiong; Zhongyi Hu; Alister J. Page
Source: check_circle
Crossref

Group and Period-Based Representations for Improved Machine Learning Prediction of Heterogeneous Alloy Catalysts

The Journal of Physical Chemistry Letters
2021-06-03 | Journal article
Contributors: Xinyu Li; Raymond Chiong; Alister J. Page
Source: check_circle
Crossref

Reaction pathways in the solid state and the Hubbard U correction

The Journal of Chemical Physics
2021-03-28 | Journal article
Contributors: Joshua J. Brown; Alister J. Page
Source: check_circle
Crossref

Thermochemical stabilities of giant fullerenes using density functional tight binding theory and isodesmic‐type reactions

Journal of Computational Chemistry
2021-02-05 | Journal article
Contributors: Simone L. Waite; Amir Karton; Bun Chan; Alister J. Page
Source: check_circle
Crossref

Initial competing chemical pathways during floating catalyst chemical vapor deposition carbon nanotube growth

Journal of Applied Physics
2021-01-28 | Journal article
Contributors: Ben McLean; Esko I. Kauppinen; Alister J. Page
Source: check_circle
Crossref

Scalable growth of single-walled carbon nanotubes with a highly uniform structure

Nanoscale
2020 | Journal article
Contributors: Aqeel Hussain; Er-Xiong Ding; Ben Mclean; Kimmo Mustonen; Saeed Ahmad; Mohammad Tavakkoli; Alister J. Page; Qiang Zhang; Jani Kotakoski; Esko I. Kauppinen
Source: check_circle
Crossref

The Hubbard-U correction and optical properties of d metal oxide photocatalysts

The Journal of Chemical Physics
2020-12-14 | Journal article
Contributors: Joshua J. Brown; Alister J. Page
Source: check_circle
Crossref

Electronic Structure and High-Temperature Thermochemistry of Oxygen-Deficient BaMO3 (M = Ti – Cu) Perovskites

The Journal of Physical Chemistry C
2020-12-10 | Journal article
Contributors: Krishna K. Ghose; Alicia Bayon; Alister J. Page
Source: check_circle
Crossref

Tin(IV) compounds of tridentate thiosemicarbazone Schiff bases: Synthesis, characterization, in-silico analysis and in vitro cytotoxicity

Polyhedron
2020-10 | Journal article
Part of ISSN: 0277-5387
Source: Self-asserted source
Alister Page

Hybrid Low‐Dimensional Carbon Allotropes Formed in Gas Phase

Advanced Functional Materials
2020-09-13 | Journal article
Part of ISSN: 1616-301X
Part of ISSN: 1616-3028
Source: Self-asserted source
Alister Page

Defect Engineering for Photocatalysis: From Ternary to Perovskite Oxynitrides

ChemNanoMat
2020-05 | Journal article
Contributors: Joshua J. Brown; Zhuofeng Ke; Tianyi Ma; Alister J. Page
Source: check_circle
Crossref

Front Cover: Defect Engineering for Photocatalysis: From Ternary to Perovskite Oxynitrides (ChemNanoMat 5/2020)

ChemNanoMat
2020-05 | Journal article
Contributors: Joshua J. Brown; Zhuofeng Ke; Tianyi Ma; Alister J. Page
Source: check_circle
Crossref

Energy and Charge Transfer at the Boron Nitride Nanotube—Catalyst Growth Interface

The Journal of Physical Chemistry C
2020-05-28 | Journal article
Contributors: Ben McLean; Grant B. Webber; Alister J. Page
Source: check_circle
Crossref

Experimental, computational and thermodynamic studies in perovskites metal oxides for thermochemical fuel production: A review

International Journal of Hydrogen Energy
2020-04 | Journal article
Contributors: Alicia Bayon; Alberto de la Calle; Krishna Kamol Ghose; Alister Page; Robbie McNaughton
Source: check_circle
Crossref

Homoleptic tin(IV) compounds containing tridentate ONS dithiocarbazate Schiff bases: Synthesis, X-ray crystallography, DFT and cytotoxicity studies

Journal of Molecular Structure
2020-04 | Journal article
Contributors: Enis Nadia Md Yusof; Muhammad A.M. Latif; Mohamed I.M. Tahir; Jennette A. Sakoff; Abhi Veerakumarasivam; Alister J. Page; Edward R.T. Tiekink; Thahira B.S.A. Ravoof
Source: check_circle
Crossref

Selective cytotoxicity of organotin(IV) compounds with 2,3-dihydroxybenzyldithiocarbazate Schiff bases

Research on Chemical Intermediates
2020-04 | Journal article
Part of ISSN: 0922-6168
Part of ISSN: 1568-5675
Source: Self-asserted source
Alister Page

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

The Journal of Chemical Physics
2020-03-31 | Journal article
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Source: Self-asserted source
Alister Page

Electronic structure and high-temperature thermochemistry of BaZrO3−δ perovskite from first-principles calculations

Physical Chemistry Chemical Physics
2019 | Journal article
Contributors: Krishna K. Ghose; Alicia Bayon; Jim Hinkley; Alister J. Page
Source: check_circle
Crossref

Vacancy diffusion barriers in TaON and Ta3N5 water-splitting photocatalysts

Journal of Materials Chemistry A
2019 | Journal article
Contributors: Joshua J. Bown; Alister J. Page
Source: check_circle
Crossref

Boron Nitride Nanotube Nucleation during Ni-Catalyzed Boron Oxide Chemical Vapor Deposition

The Journal of Physical Chemistry C
2019-11-14 | Journal article
Contributors: Ben McLean; Grant B. Webber; Alister J. Page
Source: check_circle
Crossref

Improved Representations of Heterogeneous Carbon Reforming Catalysis using Machine Learning

Journal of Chemical Theory and Computation
2019-09-10 | Journal article
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Source: Self-asserted source
Alister Page
grade
Preferred source (of 2)‎

Boron Nitride Nanotube Nucleation via Network Fusion during Catalytic Chemical Vapor Deposition

Journal of the American Chemical Society
2019-08-28 | Journal article
Contributors: Ben McLean; Grant B. Webber; Alister J. Page
Source: check_circle
Crossref

Lewis Strength Determines Specific-Ion Effects in Aqueous and Nonaqueous Solvents

The Journal of Physical Chemistry A
2019-08-01 | Journal article
Contributors: Kasimir P. Gregory; Grant B. Webber; Erica J. Wanless; Alister J. Page
Source: check_circle
Crossref

How does acetonitrile modulate single-walled carbon nanotube diameter during CVD growth?

Carbon
2019-05 | Journal article
Contributors: Clothilde A. Eveleens; Stephan Irle; Alister J. Page
Source: check_circle
Crossref

New Phosphorene by Phase Combination with Tunable Electronic and Mechanical Properties

The Journal of Physical Chemistry C
2019-05-02 | Journal article
Contributors: Wei Geng; Jiantao Xiao; Joshua J. Brown; Alister J. Page; Zhuofeng Ke
Source: check_circle
Crossref

Polymer solvation in choline chloride deep eutectic solvents modulated by the hydrogen bond donor

Journal of Molecular Liquids
2019-04 | Journal article
Part of ISSN: 0167-7322
Source: Self-asserted source
Alister Page

Catalyst- and Etchant-Dependent Mechanisms of Single-Walled Carbon Nanotube Nucleation during Chemical Vapor Deposition

The Journal of Physical Chemistry C
2019-04-25 | Journal article
Contributors: Clothilde A. Eveleens; Alister J. Page
Source: check_circle
Crossref

<i>o</i>-Vanillin Derived Schiff Bases and Their Organotin(IV) Compounds: Synthesis, Structural Characterisation, In-Silico Studies and Cytotoxicity

International Journal of Molecular Sciences
2019-02 | Journal article | Author
Contributors: ENIS NADIA MD YUSOF; Muhammad Alif Mohammad Latif; Mohamed I. M. Tahir; Jennette A. Sakoff; Michela I. Simone; Alister Page; Abhi Veerakumarasivam; Edward Tiekink; Thahira B. S. A. Ravoof
Source: check_circle
Multidisciplinary Digital Publishing Institute
grade
Preferred source (of 2)‎
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Peer review (25 reviews for 10 publications/grants)

Review activity for ACS nano. (6)
Review activity for ACS sustainable chemistry & engineering. (2)
Review activity for Advanced science. (1)
Review activity for Angewandte Chemie. (1)
Review activity for Chemistry of materials. (2)
Review activity for Journal of physical chemistry. (2)
Review activity for Journal of the American Chemical Society. (8)
Review activity for Langmuir : (1)
Review activity for Nano letters. (1)
Review activity for Small methods (1)