Projects per year
Personal profile
Biography
Short Biography:
- BSc in Chemistry, High Chemistry College with the Russian Academy of Science, 1998
- MSc in Theoretical Chemistry, High Chemistry College with the Russian Academy of Science, 2000
- PhD (Dr. rer. nat), University of Muenster, Germany, 2004
- Postdoc with Dr. Michelle Coote, ANU, 2004-2006
- Postdoc with Prof. Doug MacFarlane, Monash University, 2006-2007
- Lecturer (Academic Level B), Monash University, 2007-2010
- Senior Lecturer (Academic Level C) and ARC Future Fellow, Monash University, 2011-2015
- Associate Professor (Academic Level D) at Monash University, since 2016
Research areas of interest:
- Development and application of cost-effective computational chemistry methods for studying condensed systems from organic ionic materials to molecular crystals.
- Prediction of thermodynamic and transport properties of condensed systems including melting points, lattice energies, conductivity and viscosity.
- Understanding solvation mechanisms of metal salts in organic ionic materials
- Development of solvation models for the prediction of solubility of organic and inorganic compounds in traditional molecular solvents and ionic materials.
- Studies of kinetics and thermodynamics of chemical reactions, including radical polymerisation and CO2 chemical absorption, in ionic media.
- Prediction of Redox Potentials of organic and inorganic compounds in ionic and traditional media.
- Control of free-radical polymerisaiton in ionic media
- Use of machine learning in drug design and prediciton of crystal structures
- Coding of developed quantum chemical methods in a program for massively parallel computers
Supervision interests
- Development of new computaitonal chemistry methods for studying condensed systems (liquids, moelcular solvents, electrolytes, ionic liquids, plastic crystals, molecular crystals);
- Application of large-scale calcualtions to studying solvation effects, chemical reactivity & thermodyanmic stability.
Monash teaching commitment
- CHM3911 Advanced Physical Chemistry Unit: Topics on Computational Chemistry and Thermodynamics
- Honours Module in Computational Chemistry
- Tutorials for CHM1011 and CHM2922
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Research area keywords
- Condensed Systems
- Molecular Crystals
- Quantum Chemistry
- Wavefunction-based methods
- Intermolecular interactions
- Physicochemical properties
- Lattice Energies
- Solvation
- Solubility
- Redox Potentials
- Kinetics of chemical reactions
- Radical polymerisation
- Ionic Materials
- Ionic Liquids
Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Quantum Information Technology: Quantum Information Technology: Industry Readiness & Applications
Steinfeld, R. (Primary Chief Investigator (PCI)), simmons, M. (Chief Investigator (CI)), Usman, M. (Chief Investigator (CI)), Phung, D. (Chief Investigator (CI)), Tack, G. (Chief Investigator (CI)), Pas, E. (Chief Investigator (CI)), Sakzad, A. (Associate Investigator (AI)), Cui, S. (Associate Investigator (AI)), Aleti, A. (Associate Investigator (AI)), Garcia De La Banda Garcia, M. (Associate Investigator (AI)), Nakashima, P. (Associate Investigator (AI)), Schmidt, D. (Associate Investigator (AI)), Esgin, M. (Associate Investigator (AI)) & Fay, J. (Associate Investigator (AI))
1/01/23 → 31/12/27
Project: Research
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Shifting the trend in radical battery research
Pas, E. (Primary Chief Investigator (PCI)), Karton, A. (Chief Investigator (CI)), Oyaizu, K. (Partner Investigator (PI)) & Yoshizawa-Fujita, M. (Partner Investigator (PI))
1/03/21 → 28/02/26
Project: Research
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ARC Training Centre for Green Chemistry in Manufacturing
Patti, A. (Primary Chief Investigator (PCI)), Junkers, T. (Chief Investigator (CI)), Raston, C. L. (Chief Investigator (CI)), Barrow, C. J. (Chief Investigator (CI)), Hapgood, K. (Chief Investigator (CI)), Gates, W. P. (Chief Investigator (CI)), Adcock, J. L. (Chief Investigator (CI)), Sutti, A. (Chief Investigator (CI)), Rajkhowa, R. (Chief Investigator (CI)), Saito, K. (Chief Investigator (CI)), Tabor, R. (Chief Investigator (CI)), Hearn, M. (Chief Investigator (CI)), Tanksale, A. (Chief Investigator (CI)), Garnier, G. (Chief Investigator (CI)), Franco, C. (Chief Investigator (CI)), Tang, Y. (Chief Investigator (CI)), Zhang, W. (Chief Investigator (CI)), Heimann, K. (Chief Investigator (CI)), Crawford, S. (Partner Investigator (PI)), Height, M. (Partner Investigator (PI)), Cock, B. (Partner Investigator (PI)), Warner, J. (Partner Investigator (PI)), Buckingham, E. (Chief Investigator (CI)), King, B. (Partner Investigator (PI)), Jayaratne, V. (Partner Investigator (PI)), Scott, J. L. (Partner Investigator (PI)), Bury, P. (Partner Investigator (PI)), Chan, P. W. H. (Chief Investigator (CI)), Robinson, A. (Chief Investigator (CI)), Semple, J. (Partner Investigator (PI)), Smullen, R. (Partner Investigator (PI)), Ciampi, S. (Chief Investigator (CI)), Chong, J. (Partner Investigator (PI)), Miltenoff, J. (Partner Investigator (PI)), Moreno , C. (Partner Investigator (PI)), Innes, L.-L. (Chief Investigator (CI)), Aldrich, C. (Chief Investigator (CI)), Lovelady, C. (Partner Investigator (PI)), James, I. (Project Manager), Phillips, D. (Partner Investigator (PI)), Pham, H. (Partner Investigator (PI)), Sacher, M. (Partner Investigator (PI)), Woods, R. (Partner Investigator (PI)), Pas, E. (Chief Investigator (CI)), Wood, B. (Chief Investigator (CI)), Sun, B. (Chief Investigator (CI)), Blair, V. (Chief Investigator (CI)), Sastry, M. (Chief Investigator (CI)), Dowley, A. (Partner Investigator (PI)), McCann, K. (Partner Investigator (PI)), Albijanic, B. (Chief Investigator (CI)), James, I. (Project Manager), Little, K. (Project Manager), Funston, A. (Chief Investigator (CI)), Snowden, S. (Project Manager) & Snowden, S. (Chief Investigator (CI))
Infineum International Limited (United Kingdom), Green Eco Technologies (Australia) Pty Ltd, Trustee for Steven Mantzaris Family Trust, CSL Behring (Australia), Bioworks Australia Pty Ltd (trading as Bioworks Australia), ARC - Australian Research Council, BOC Australia Pty Limited, Phytovision Pty Ltd, Beyond Benign
15/12/20 → 14/12/25
Project: Research
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Discovery, design and synthesis of peptide-based ligands with enhanced binding affinity for plasma proteins using machine learning
Robinson, A. (Primary Chief Investigator (PCI)), Pas, E. (Chief Investigator (CI)), Patti, A. (Chief Investigator (CI)) & Little, K. (Project Manager)
1/04/22 → 14/12/24
Project: Research
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Australasian Computational and Simulation Commons
Mark, A. E. (Primary Chief Investigator (PCI)), Chalmers, D. (Associate Investigator (AI)), Sroet, M. (Project Manager), Bernhardt, D. (Chief Investigator (CI)), Krenske, E. H. (Chief Investigator (CI)), Mancera, R. L. (Chief Investigator (CI)), O'Mara, M. L. (Chief Investigator (CI)), Yu, H. (Chief Investigator (CI)), Pas, E. (Chief Investigator (CI)), Goerigk, L. (Chief Investigator (CI)), Deplazes, E. (Associate Investigator (AI)), Malde, A. (Associate Investigator (AI)), Smith, B. (Associate Investigator (AI)) & Haung, D. (Associate Investigator (AI))
30/06/21 → 31/12/22
Project: Research
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Accurate Prediction of Three-Body Intermolecular Interactions via Electron Deformation Density-Based Machine Learning
Low, K., Coote, M. L. & Izgorodina, E. I., 14 Mar 2023, In: Journal of Chemical Theory and Computation. 19, 5, p. 1466-1475 10 p.Research output: Contribution to journal › Article › Research › peer-review
8 Citations (Scopus) -
Appropriate clusterset selection for the prediction of thermodynamic properties of liquid water with QCE theory
Hashim, F. H., Yu, F. & Izgorodina, E. I., 1 Mar 2023, In: Physical Chemistry Chemical Physics. 25, 14, p. 9846-9858 13 p.Research output: Contribution to journal › Article › Research › peer-review
5 Citations (Scopus) -
Influencing Molecular Dynamics Simulations of Ion-Exchange Membranes by Considering Comonomer Propagation
Mason, T. G., Freeman, B. D. & Izgorodina, E. I., 23 Jan 2023, In: Macromolecules. 56, 3, p. 1263–1277 15 p.Research output: Contribution to journal › Article › Research › peer-review
5 Citations (Scopus) -
Negating coordinative cysteine and methionine residues during metathesis of unprotected peptides
Thomson, A. L., Gleeson, E. C., Belgi, A., Jackson, W. R., Izgorodina, E. I. & Robinson, A. J., 12 May 2023, In: Chemical Communications. 59, 45, p. 6917-6920 4 p.Research output: Contribution to journal › Article › Research › peer-review
4 Citations (Scopus) -
Structural elucidation of polydopamine facilitated by ionic liquid solvation
Singh, A., Mason, T. G., Lu, Z., Hill, A. J., Pas, S. J., Teo, B. M., Freeman, B. D. & Izgorodina, E. I., 7 Jun 2023, In: Physical Chemistry Chemical Physics. 25, 21, p. 14700-14710 11 p.Research output: Contribution to journal › Article › Research › peer-review
8 Citations (Scopus)
Prizes
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RACI Physical Chemistry Division Lectureship
Pas, E. (Recipient), 2011
Prize: National/international honour
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