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Biography:

Suresh Bhatia received a B.Tech. degree in Chemical Engineering from the Indian Institute of Technology, Kanpur, and Master’s as well as PhD degrees from the University of Pennsylvania. He worked for a few years in industry in the USA, and for two years at the University of Florida, before joining the Indian Institute of Technology, Mumbai, in 1984, and subsequently The University of Queensland in 1996. His main research interests are in adsorption and transport in nanoporous materials and in heterogeneous reaction engineering, where he has authored over two hundred and eighty scientific papers in leading international journals. He has received numerous awards for his research, including the Shanti Swarup Bhatnagar Prize for Engineering Sciences from the Government of India, and the ExxonMobil Award for excellence from the Institution of Chemical EngineersHe has held an Australian Professorial Fellowship from the Australian Research Council, and is a Fellow of two major academies – the Australian Academy of Technological Sciences and Engineering, and the Indian Academy of Sciences. He served as the Regional Editor of the international journal Molecular Simulation between 2009 and 2015. He has held visiting positions at leading universities, and between 2007 and 2009 he was the Head of the Division of Chemical Engineering at UQ.

Research:

Bhatia’s main research interests are in the modelling and simulation of adsorption and transport in nanoporous materials, and in heterogeneous reaction engineering, in which he pursues both applied and fundamental research on a variety of topics. One of the current subjects is the development of models for the reaction kinetics and transport processes in the green electrocatalytic reduction of carbon dioxide, as part of the research activities of the Australian Research Council Centre of Excellence. This is a novel route to reducing carbon dioxide emissions by converting it to useful chemicals and fuels, that is rapidly gaining increasing interest. In this technique, a porous electrode of complex structure is coated with nanoparticles of an electrocatalyst, on the surface of which carbon dioxide is reduced. Carbon dioxide (either pure gas or as part of flue gas) is fed into the electrolyser and must diffuse through the electrode’s structure to react with hydrogen ions in a liquid-phase electrolyte at the surface of the electrocatalyst. An added complexity is the intrusion of the electrolyte into the electrode, leading to its flooding and to a reduction in gas-phase transport rates. Bhatia’s research aims to gain an understanding of the complex interplay between gas-phase and electrolyte transport, and interfacial reaction kinetics, combining nanoscale models of transport and electrocatalytic kinetics with macroscopic electrode level models, and develop a comprehensive approach useful for process design and scale-up.

A second stream of activity relates to the modelling of mixed matrix membranes, particularly for carbon dioxide separation from flue gas and other industrial gas streams. These are a new class of membranes comprising a nanoporous adsorbent filler such as a zeolite or metal-organic/zeolitic imidazole framework material dispersed in a polymer matrix. Such composite membranes combine the high flux capabilities of the adsorbent with the selective properties of the polymer to overcome the established Robeson upper bound for polymers. Bhatia has developed novel effective medium theory-based models for transport in finite-sized composites, which overcome limitations of existing theories that are applicable only to large systems and therefore overlook particle and system size effects. At a more molecular level, Bhatia is investigating the nanoscale interfacial structure of the polymer in the vicinity of the solid, and its influence on the interfacial transport resistance using molecular dynamics simulation methods. When the polymer-filler interaction is strong, there is local densification of the polymer, which hinders gas transport, and when this interaction is weak interfacial nano-voids are formed which reduces selectivity. Both of these distinct effects deteriorate membrane performance, and a current focus of our research is the functionalisation of the polymer to improve polymer-filler compatibility and reduce interfacial defects. The synthesis of nanoscale and macroscopic approaches holds promise for the development of a virtual tool for the De Novo design of mixed matrix membrane specific to a given separation application; and is a key goal of this research.

Another thrust of his research relates to the transport of fluids in nanopores and nanoporous materials, where he is developing practical models of transport in nanoporous materials in conjunction with simulation and experiment. Among the achievements is a new theory of transport in nanoscale pores, which leads to an exact new result at low densities superseding the century-old Knudsen model. A current focus of the research is the interfacial resistance to transport in nanpororous materials, using molecular dynamics simulations and theoretical techniques. His results have shown that interfacial resistance dominates at nanoscales and can be very significant even at microscales. The results will have importance for a range of nanotechnologies involving the infiltration of fluids in nanoporous materials, including catalysis, gas storage, adsorption, and membrane-based separations, as well as nanofluidics.

In another stream of activity, he has developed atomistic models of disordered carbons using hybrid reverse Monte Carlo simulation methods, in conjunction with neutron scattering experiments. These atomistic models have been used to investigate the adsorption and transport of adsorbed fluids in the carbon nanostructure for a variety of applications. Among the carbons examined are carbide-derived carbon-based adsorbents for carbon dioxide capture from moist flue gases and CH4/CO2 separations. The co-adsorption of water has been shown by him to have a critical influence on both equilibrium and transport properties in these applications, and strategies for mitigating this influence are being investigated by means of simulation.

An area of recent activity is the study of carbon supercapacitors, where he is developing advanced simulation-based models for the equilibrium and flow of ions in porous carbon electrodes. These models will enable the optimisation of carbon structure for maximising capacitance and enhancing charging/discharging rates.

Teaching and Learning:

Bhatia has teaching interests in chemical reaction engineering, and applied mathematics, both at the undergraduate and postgraduate levels.

Projects:

1. Simulation of the kinetics of electrocatalytic reduction of carbon dioxide. The electrocatalytic transformation of carbon dioxide to useful chemicals and fuels is a subject of much current interest to the goal of a net zero carbon economy. This project aims to develop a model of the kinetics of the electrocatalytic reaction and use it to optimise the structure and loading of the electrocatalyst layer on the surface of the electrode. A combination of Quantum calculations and kinetic Monte Carlo simulations will be performed to determine the reaction kinetics for the carbon dioxide reduction to specific products such as ethylene and urea. Machine learning will be used to correlate intrinsic reaction kinetics with ionic concentrations in the electrolyte. Subsequently, reaction-diffusion modelling in the electrolyte will be performed to determine the optimal properties of the catalyst layer for maximising production rates. Validation of the models will be conducted using experimental data from other groups in the ARC Centre of Excellence for Green Carbon Dioxide Transformation.
2. Multiphase transport in packings of nanospheres. Numerous materials comprise packings of nano-sized particles. Examples are catalytically active layers of metals deposited on surfaces, layers of carbon nanoparticles in electrodes, and extrudates of catalyst and adsorbent particles comprised of aggregated nanoparticles. Current models of transport through such materials often simplify the structure by appealing to an idealised cylindrical pore model, which is often inaccurate and requires the use of empirical fitting parameters. In addition, such models frequently overlook fluid-solid interactions that become important at nanoscales. This project will investigate simultaneous gas and liquid electrolyte transport in packings of nanospheres, while considering fluid-solid interaction and phase equilibrium between gas and liquid, using molecular dynamics simulations, to determine multiphase transport properties as a function of interaction parameters, packing structure, packing density and particle size, and the results corelated using machine learning models. The models developed will be useful in the design of catalyst and adsorbent particles, and of electrodes in electrochemical processes.
3. Modelling transport in diffusion electrodes. Numerous electrochemical systems, such as fuel cells and electrocatalytic reactors use electrodes of complex structure, comprising a fibrous gas diffusion layer, a conductive carbon particle layer and a catalytic layer. The electrode separates gas and liquid electrolyte, both of which infiltrate the electrode from opposite sides. A reliable model of the electrode behaviour is essential for process design. This project will model the interplay between gas and electrolyte transport and their phase equilibrium in the electrode, as well as the reaction-diffusion process in the catalytic layer facilitated by the charge transport in the electrode. Joule heating of the electrode will also be considered. The particular process targeted is the electrocatalytic conversion of carbon dioxide. The outcome will be a comprehensive model of reaction and transport in the electrode that can be used in process design and scale-up of the electrochemical cell for electrocatalytic carbon dioxide reduction.
4. Synthesis and modelling of mixed matrix membranes. Mixed matrix membranes comprising a zeolite, metal-organic framework material, or other suitable adsorbent dispersed within a polymer matrix are attracting considerable attention because they combine the good mechanical properties of the polymer matrix with separation properties of the adsorbent. Here, we will perform molecular dynamics simulations of the separation of CO2 from flue gas using mixed matrix membranes and investigate their transport properties in this application. Suitable functionalisation of the polymer will be performed in silico to alleviate interfacial defects. Machine learning will be used to correlate transport properties with fundamental molecular level polymer and filler properties. Mathematical models of permeation through the membrane will be developed and validated against experimental data.
5. Dynamics of mixture adsorption in nanoporous materials. This project focuses on understanding the diffusion of gases in nanoporous materials, which is challenging both from a fundamental and applications viewpoint. Existing models frequently overlook fluid-solid interactions and require fitting parameters. In this connection, we have already performed molecular dynamics studies with single component systems and developed a novel new theory of diffusion and transport of adsorbates in nanoporous materials. The new studies now proposed focus on gas mixtures, and the theory developed will be extended to multicomponent systems in conjunction with molecular dynamics simulation. A system of particular interest is the separation of carbon dioxide from flue gas using nanomaterials and membranes.

I was awarded my PhD in Computational Biophysics from the University of Western Australia (2012) for my work on combining molecular modelling and simulation approaches with fluorescence spectroscopy experiments to study mechanosensitive ion channels.

Following this, I carried out Postdoctoral work at the University of Queensland and Curtin University, funded by Early Career Fellowships from the Swiss National Science Foundation and the Australian National Health and Research Council (NHMRC). In 2019, I joined UTS under a UTS Chancellor's Postdoctoral Research Fellowship and started my independent research group. In 2021, I returned to the University of Queensland as a Senior Lecturer.

Apart from my research, I am a passionate advocate for mental health in academia and

supporting PhD students. My teaching and supervision are guided by encouraging students to become 'critical thinkers'. I practice mindful leadership and aim to integrate kindness and gratitude into how I lead my research team.

Doctor James Falconer has been an academic at the School of Pharmacy, The University of Queensland since June 2015. Dr Falconer was an assistant lecturer, then research & teaching fellow at the School of Pharmacy, the University of Auckland from 2011 – 2015.

In 2007 he was awarded with the Technology for Industry Fellowship (TIF) from the New Zealand Foundation for Research, Science & Technology (FRST) from the NZ Government with joint funding from Pharmaceutical Compounding New Zealand (PCNZ) to complete a PhD under A/Professor Jingyuan Wen and Professor Raid Alany from the University of Auckland, New Zealand for development of a supercritical fluid platform and transdermal delivery of poorly aqueous soluble steriods. As a post-doctoral researcher under A/Professor Zimei Wu and collaboration with Argenta Global in Auckland he worked to help stabilise a veterinary pour-on which resulted in international patents and registered product for cattle. He was then appointed as a lecturer in pharmacy practice and pharmaceutical sciences at The University of Queensland in Brisbane, Australia. Prior to his academic career, he received a BSc in Genetics 1999 and a Masters in Health Sciences (Bioethics) in 2003 under A/Professor Neil Pickering on the anatomy of the GMO debate from the University of Otago, Dunedin, New Zealand. In 2005, he completed a BPharm (Hons) from the University of Auckland and undertook an internship at Middlemore Hospital in 2006, then was employed from 2007 as a ward pharmacist in general surgery and the hospital dispensary and as a community pharmacist - including the 'graveyard' shifts at day/night pharmacies.

Doctor Falconer has established research in supercritical fluid applications for selective extraction as well as in engineering advanced nanoparticulate dosage forms based on lipid and polymeric systems. A backbone to this work is the search for green/er technology to replace organic solvent driven material manufacturing processes and the repurposing of carbon dioxide for good.

My research is based on organic materials for uses including energy storage, solar cells, light emitting diodes and sensors. The way that they pack into thin films and the processes that occur at the interfaces between materials are the main areas of interest.

Examples of specific areas of research are:

• Understanding structure in organic optoelectronic devices - Organic devices such as organic light emitting diodes, solar cells and sensors, are constructed using multiple layers of materials that perform different functions such as emitting light and charge transport. The morphology and interaction betweens these layers are very important and we study structure and diffusion in layers and at interfaces using such techniques as X-ray and neutron reflectometry, X-ray diffraction and electron microscopy.

• Materials for energy storage - We are developing new materials for use as cathodes in high-energy rechargeable batteries, particularly lithium sulfur batteries, and supercapacitors. Materials developed so far show potential increases in energy density of 3-5x that of lithium ion batteries.

Dr Lisbeth Grondahl's research interests are in the areas of Biomaterials Science and Tissue Engineering. In particular, she works on the development of novel materials and on surface modification of materials for improved bioactivity.

Current projects include:

• Surface modification of biodegradable scaffolds for tissue engineering
• Production of drug delivery devices for accelerated bone regeneration
• Development of composite materials for use as bone biomaterials

Dr Karan Gulati is a Research Group Leader and the Deputy Director of Research at the School of Dentistry, UQ. He is also the Deputy Director of Centre for Orofacial Regeneration, Reconstruction and Rehabilitation (COR3) at UQ Dentistry.

Dr Gulati is a pioneer in electrochemically nano-engineered dental implants with over 13 years of extensive research experience using nano-engineering towards various bioactive and therapeutic applications. Dr Gulati completed his PhD from the University of Adelaide (Australia) in 2015 and was awarded the Dean’s Commendation for Doctoral Thesis Excellence. His career has been supported by prestigious fellowships from NHMRC (National Health and Medical Research Council, Australia), JSPS (Japan Society for the Promotion of Science, Japan), Erasmus+ (Germany) and the University of Queensland. At 8 years post-PhD, Dr Gulati has edited 3 books, published 7 chapters and >72 publications (h-index 35), and presented >110 times in various reputed conferences.

Present Position

I am an ARC Future Fellow at the Centre for Advanced Imaging and associated with the University of Oxford as a Senior Visiting Research Fellow.

Previous Positions

• August 2007 to March 2013: Scientific Coordinator and Applications manager of the Centre of Advanced Electron Spin Resonance (CAESR) at the Oxford University, UK.
• 2002-July 2007: Project leader (“Ober-assistent”) in the Physical Chemistry Department at the Swiss Federal Institute of Technology (ETH), Zürich. I was a project leader in the electron paramagnetic resonance group of Prof. Arthur Schweiger.
• 1999-2002: Postdoctoral position at ETH, Zurich. In the group of Prof. Arthur Schweiger I used CW and pulse EPR as a tool to investigate the geometric and electronic properties of transition metal complexes.
• 1996-1999: Doctor of Philosophy from the Chemistry Department of the University of Newcastle, Australia, Advanced Coal Characterization by Nuclear Magnetic Resonance. The project was funded by the Collaborative Research Centre for Black Coal Utilization and I was supervised by the University of Newcastle (Prof. Marcel Maeder), BHP Research Melbourne (Dr. Brian Smith) and Callcott Coal Consulting (Dr. Tom Callcott).
• 1995: Researcher at BHP Central Research Laboratories, Newcastle, Australia. I developed experimental techniques to measure the conductivity and the permeability of coal as it pertains to coke ovens.
• 1992-1995: Researcher at Oakbridge Research Center, Newcastle, Australia. I worked on high temperature Nuclear Magnetic Resonance (NMR) for coal characterization (for my Bachelor of Science Honors thesis). This was a collaboration between the CSIRO Coal and Energy Division (North Ryde, Sydney), Oakbridge Research Centre and the University of Newcastle.

Keywords

structural biology · protein interactions · metalloenzymes · metal complexes · electron transfer · Iron sulphur clusters · pulse EPR · CW EPR · DEER · PELDOR ·HYSCORE · ENDOR · ESEEM · density functional theory · molecular dynamics

Dr. Kontogiorgos has received his B.Sc. and M.Sc. degrees in Food Science from the Aristotle University of Thessaloniki (Greece). A full scholarship was then awarded from the Greek State Scholarships Foundation (I.K.Y) for Ph.D. studies in Food Science at the University of Guelph (Canada). After his Ph.D. degree, he worked as an NSERC research fellow at the Agriculture and Agri-Food Canada (Canada). Following that post, he worked as academic at the Department of Biological Sciences of the University of Huddersfield (UK) before joining the School of Agriculture and Food Sciences at the University of Queensland. Dr. Kontogiorgos research interests are focused in the area of polysaccharide characterisation and physical chemistry of food macromolecules, gels, and colloidal systems. Currently, he is working on the physical, chemical and technological properties of soluble and insoluble fibres extracted from agricultural wastes. Dr Kontogiorgos is Associate Editor of Food Hydrocolloids and Associate Editor of Food Biophysics.

Professor Elizabeth Krenske leads a computational chemistry laboratory that specialises in understanding molecular behaviour. Her laboratory has a particular focus on the study of chemical reaction mechanisms, including the computational prediction of reaction outcomes. Prof. Krenske obtained her PhD in synthetic main-group chemistry at The Australian National University's Research School of Chemistry, where she worked with Professor Bruce Wild. After two years of postdoctoral research at the ANU she was awarded a Fulbright Postdoctoral Scholarship and spent two years at the University of California, Los Angeles, working in the field of theoretical and computational chemistry with Professor Kendall Houk. She returned to Australia in 2009 as an ARC Australian Postdoctoral Fellow at the University of Melbourne, and moved to The University of Queensland in 2012 as an ARC Future Fellow. She is currently a Professor in the UQ School of Chemistry and Molecular Biosciences.

Prof. Krenske is a Fellow of the Royal Australian Chemical Institute, Fellow of the Royal Society of Chemistry, Fellow of the Higher Education Academy and former Associate Editor of the RSC journal Organic & Biomolecular Chemistry.

Richard Lee is a postdoctoral research fellow in the School of Chemical Engineering at the University of Queensland (UQ), Australia.

He obtained his PhD from the UQ School of Chemical Engineering. His PhD study focussed on grinding and flotation chemistry of copper flotation. Richard’s PhD thesis:

• Identified the fundamental chemistry issue of copper flotation containing high-concentration pyrite, which is a big problem faced by global flotation concentrators
• Proposed a pyrite-selective oxidation method using inorganic radicals to improve the depression of high-concentration pyrite in copper flotation

Currently, Richard is working as a research associate in two Australian Research Council (ARC) Linkage Projects:

• The first project, sponsored by ARC, Newmont and BHP, is focussing on understanding and mitigating the negative effect of process water to improve gold processing during flotation and leaching
• The second project, sponsored by ARC and Vega Industries, is focussing on improving the processing of low-grade copper ores via grinding and flotation chemistry

Richard’s research specialises in base metal grinding and flotation chemistry, surface chemistry, electrochemistry, radical chemistry (Advanced oxidation processes, AOPs) and leaching. He is currently working to apply inorganic radicals in metallurgical processes to improve the extraction and separation of several base and precious metals.

A/Professor Bin Luo is currently an ARC Future Fellow and Group Leader in Australian Institute for Bioengineering and Nanotechnology (AIBN) at the University of Queensland (UQ). He received his doctoral degree in Physical Chemistry from National Center for Nanoscience and Technology (NCNST), University of Chinese Academy of Sciences (UCAS) in July 2013. In August 2014, Dr Luo joined UQ as a Postdoctoral Research Fellow in AIBN. He then secured highly competitive UQ Postdoctoral Research Fellowship (2015-2018), ARC DECRA Fellowship (2018-2021), and ARC Future Fellowship (2021-2025).

Research interests in Luo group mainly include

• Design of functional materials for next generation energy storage applications, including multivalent metal batteries, redox flow batteries and solid state batteries.
• Exploring new conceptual energy conversion or storage systems (e.g. flexible/micro-batteries, solar rechargeable battery).
• Revealing the structure-performance relationship of functional materials via in/ex situ investigations.
• Interaction of biomaterials and energy storage.

Alasdair McDowall’s career started in the Pathology department of Moredun Institute, a UK veterinary research facility. He trained here in an animal pathology service and studied medical sciences specializing in histopathology. He set up and operated the early Siemens electron microscope in the department. A position in Pathology service at the Institute for Occupational Medicine brought his career into the human clinical arena of respiratory diseases where he continued his studies in medical sciences resulting in a Masters degree and Fellowship of the Institute of Biomedical Sciences (FIBMS) UK

Alasdair McDowall received his Doctorate from the University of Sorbonne Paris VI. His thesis topic was the “Ultracryomicrotomy: a structural investigation at high resolution of untreated and fully hydrated cells and tissues for electron microscopy (cryoEM)”. This thesis was enhanced by the unique discovery in 1981 when Dubochet and McDowall reported the first vitrification of water at ambient pressures as seen in the electron microscope. In the years following this landmark result, Dr. McDowall and colleagues at the European Molecular Biology Laboratory (EMBL) pioneered seminal research in improved low temperature instrumentation and low dose observation techniques, which evolved into modern day molecular cryo-electron microscopy and the awarding of the 2017 Nobel Prize in Chemistry to Dubochet, Henderson and Frank.

In 2003 he was awarded a prestigious joint appointment as an Institute of Molecular Bioscience principal research fellow and Node manager of this premier $10M cryo-microscopy unit in Australia, specializing in high resolution biological electron microscopy. Professor McDowall has over 50 peer reviewed publications and 60 conference proceedings in the field of cell ultrastructure and has co-organised/participated in >20 research technical workshops, he has co-authored his 3rd EMBO article, vitrification and cryosectioning for cryo electron microscopy. In 2008 he returned to the USA as a director of the Beckman Foundation microscopy resource and to manage Professor Jensen’s cryoEM tomography Lab at the California Institute of Technology, Pasadena. In addition, as director of the Caltech Beckman foundation resource for electron microscopy he was successful in securing a $1.0M award, 6 year renewal, in 2013. In 2013 and 2014 he was nominated for the California Institute of Technology Thomas W. SchmittAward. He rejoined the Howard Hughes Medical Institute at Caltech in 2013, where he was responsible in the design, installation, and establishment of a new $15M cryo electron microscopy facility at Caltech.

Professor McDowall was an honored guest of the Swedish Academy of Sciences Nobel Foundation to attend the 2017 Nobel Prize Ceremonies and celebrations in recognition of his decades long contribution to cryo electron microscopy and his research partnership to Nobel Laureate Prof. Jacques Dubochet.

In recognition of Alasdair McDowall’s unique and integral contribution in the research leading to the 2017 Nobel Prize in Chemistry, Prof. Jacques Dubochet, presented Professor McDowall with a Swedish Academy of Sciences Nobel Medal awarded to Prof. Dubochet.

In 2018, Vice Chancellor of the University of Queensland Prof. Peter Høj conferred the title of Professor Emeritus on Dr. McDowall.

Nominated Rotary STAR 2018: Outstanding humanitarian achievement in science and technology : Health and Medical

Appointed by HRH Queen Elizabeth II, in the 2019 Australian honours system, awarded Member (AM) of the Order of Australia.

“For significant service to science, particularly in the field of electron microscopy, his research included performing key experiments that culminated in the awarding of the Nobel Prize for Chemistry to his supervisor Professor Jacques Dubochet, and two of his colleagues, 2017”.

The Order of Australia is the pre-eminent means by which Australia recognizes the outstanding and meritorious service of its citizens. The award confers the highest recognition for outstanding achievement and service.

Professor Mobli is a structural biologist and a group leader at the University of Queensland's Australian Institute for Bioengineering and Nanotechnology (AIBN). He is well known internationally for his contributions to the basic theory of multidimensional nuclear magnetic resonance and its applications to resolving the molecular structure of peptides and proteins, as well as studying their physiochemical properties and function. Mehdi's contributions to the field has been recognised by being appointed an Executive Editor of the AMPERE society's journal "Magnetic Resonance", and to the advisory board of the international Biological Magnetic Resonance Data Bank (BMRB) as well as serving on the board of directors of the Australia and New Zealand Society for Magnetic Resonance (ANZMAG). He is a former ARC Future Fellow and recipient of the ASBMB MERCK medal, the Australia Peptide Society's Tregear Award, the ANZMAG Sir Paul Callaghan medal and the Lorne Proteins Young Investigator Award (now Robin Anders Award).

Prof. Mobli's research group focuses on characterising the structure and function of receptors involved in neuronal signalling, with a particular focus on developing new approaches for the discovery and characterisation of modulators of these receptors through innovations in bioinformatics, biochemistry and and biophysics. This work has led to publication of more than 100 research articles attracting over 6,000 citations.

Dr Evgenii Nekhoroshev is a Postdoctoral Research Fellow at the School of Chemical Engineering and a member of the Pyrometallurgy Innovation Centre led by Prof. Evgueni Jak.

He graduated with a Master in Chemistry (chemical thermodynamics) from Lomonosov's Moscow State University, Deparment of Chemistry in 2012. His Master's Thesis was "Thermodynamic optimization of the NaOH-Al(OH)3-Na2SiO3-H2O system for applications in Bayer's process of bauxite treatment" as part of a bigger project initiated in collaboration with Rusal company aimed at utilisation/valorisation of red mud residues accumulated during the production of aluminium oxide from bauxite ores.

In 2019, he completed a PhD in Metallurgical Engineering at Ecole Polytechnique of Montreal, Canada within The Centre For Research in Computational Thermodynamics (CRCT), where he acquired expertise in FactSage software, multicomponent database development, and was included in the list of official collaborators of FactSage. His PhD thesis was "Thermodynamic optimization of the Na2O-K2O-Al2O3-CaO-MgO-B2O3-SiO2 system" sponsored by Glass Consortium including Corning and SCHOTT glass producers. The purpose of the database he developed was to assist the industry in designing new glasses with special properties: chemically hardened glasses (smartphones), technical glasses with high thermal and chemical resilience (boron-containing glasses), chemically inert glasses, etc.

Short after receiving his PhD, Dr Evgenii Nekhoroshev accepted a position at The University of Queensland as part of the Pyrometallurgy Innovation Centre's team where he has an official title of Theme Leader in Thermodynamic Computations, combining his broad expertise in metallurgy, chemical engineering, applied mathematics, and programming.

Dr Evgenii Nekhoroshev has always been passionate about formalisation and automation of big research tasks. He started working on developing an automated solver for thermodynamic optimisation during his PhD thesis which was improved and finalised using the ideas of Prof. Evgueni Jak about real-time derivative matrix optimization and sensitivity analysis applicable to large multicomponent systems. His contribution to the Centre allowed to make transition to a continuous optimization approach when experimental and modelling streams of work in the Centre are efficiently combined together. It allows to include the most recent experimental datasets into a self-consistent database update with minimal time delays.

Julie’s research is mainly focussed on gas-water-rock core reactivity at reservoir conditions using experimental, field, and geochemical modelling techniques. Recent projects have been in the application of carbon dioxide geological storage in which CO2 is captured and stored in formations generally contained by low permeability cap-rock. The safe containment of the injected CO2 and the potential changes to rock porosity, permeability, and water quality should be determined. Recent and current projects with a focus on a demonstration site in the Surat Basin (Precipice Sandstone) include the impacts of impurity or acid gases present in industrial CO2 streams (collaboration with D. Kirste, SFU), inducing carbonate precipitation (in collaboration with S. Golding), and understanding dissolved metal sources and fate. Julie has also worked closely with the CO2CRC, CTSCo, Glencore, SEAL, the NSW government, CI-NSW, and ANLEC R&D, and provided expert opinion to the Queensland Government, and input to Environmental Impacts Assessments.

Julie is currently working with landholders, the QLD regional government, RDMW, councils and industry to understand the sources of methane in aquifers of the Great Artesian Basin, especailly those overlying coal seam gas reservoirs (CSG) (with Arrow Energy, SANTOS, APLNG, H. Hoffman, K, Baublys).

Other projects include gas-water-rock or acid-rock reactivity that modify nano-porosity and gas flow in gas or oil bearing shales.

Julie Pearce graduated with an MCHEM (Hons) degree in Chemistry from the University of York, UK. She then moved to the University of Bristol to complete a Ph.D. in 2007 focusing on laser spectroscopic studies to understand the detailed reaction dynamics of atmospheric processes. From 2007 – 2009 she accepted a Japan Society for the Promotion of Science Postdoctoral Fellowship, hosted at Nagoya University, Japan. There she measured delta 13C and delta 18O isotopic signatures of CO2 simultaneously in real time in the atmosphere using a laser spectroscopic technique to understand anthropogenic and biogenic sources of CO2. After taking a career break to travel in 15 countries in Asia, she moved to Brisbane in 2010 where she is enjoying the surrounding natural beauty of Queensland.

Stephen is currently a Postdoctoral Research Fellow in the Bernhardt group at the University of Queensland. His current research is focused on the theory of nonequilibrium statistical mechanics and molecular dynamics.

Stephen completed a double degree in electrical engineering and physics at James Cook University, followed by a PhD in physics, also at James Cook University, under the supervision of Prof. Ronald White and Dr Bronson Philippa, as well as the University of Queensland's Prof. Paul Burn and Prof. Alan Mark. His PhD focused on using kinetic Monte-Carlo simulations of charge and exciton dynamics, coupled with atomistic molecular dynamics deposition simulations to establish a better understanding of structure-property relationships in organic semiconductors, particularly organic light-emitting diodes.