Many thanks to those who attended the AIBN Centre for Theoretical and Computational Molecular Science (CTCMS) Symposium on Computational Methods and Applications at the University of Queensland last week.
To keep up to date on the 2024 CTCMS symposium, please click here.
We are proud to have been able to bring together some of the top researchers, ECRs and students in the areas of development and applications of theory and computational methods in Queensland.
A special thank you to our Plenary speaker, Michelle Spencer who travelled from Melbourne to share her work with us, also our judges and chairs.
Thank you again for being part of such a wonderful Symposium experience.
Plenary Speaker
Dr Michelle Spencer
Biography
Dr Michelle J.S. Spencer is a Senior Lecturer in Chemistry at RMIT University. She received her BSc(Hons) and PhD from La Trobe University. Her research focuses on density functional theory and ab initio molecular dynamics simulations of materials and nanomaterials for applications as electronic devices, batteries and sensors. She has a number of collaborations in these areas with CSIRO, DSTG, AIST Japan and Toyota Labs Japan. Dr Spencer has published >60 refereed publications, including articles in Nature Communications, Scientific Reports and Chemical Communications and recently edited a book on the nanomaterial silicene. She has been an invited speaker at multiple international conferences and has received a number of awards, including the Max O’Connor Chemistry Lectureship Medal and the RMIT Teaching Award for Excellence in Higher Education by an Early Career Academic.
Abstract
Program
10:00-10:10 Opening and welcome by Professor Alan Rowan, Director AIBN
10:10-11:00 Plenary speaker – Dr Michelle Spencer, RMIT (AMMA Sponsored)
11:00-12:30 Session 1
- 11:00-11:20: Activated desorption at heterogeneous interfaces and long-time kinetics of hydrocarbon recovery from nanoporous media - Thomas Lee (University of Queensland)
- 11:20-11:40: Computational Strategies for Predicting the Photoluminescence Quantum Yield of Iridium(III) Complexes - Xiuwen Zhou (University of Queensland)
- 11:40-12:00: van der Waals forces in heterostructures – a fractional ionic approach - Tim Gould (Griffith University)
- 12:00-12:15: Understanding the enantioselectivity of enzymes using computational methods - Julian Zaugg (University of Queensland)
- 12:15-12:30: Primersuite: A High-Through-Put Web-Based Primer-Design Package for Multiplex Bisulfite PCR - Jennifer Lu (University of Queensland)
12:30-14:00 Lunch and Poster* session
14:00-16:00 Session 2
- 14:00-14:20: Diffusion of Light Gases in Wetted Carbon Nanotubes - Lang Liu (University of Queensland)
- 14:20-14:40: Practical Application of Computational Methods in Prostate Cancer - A Two-Pronged Approach - Stephanie Scweiker (Bond University)
- 14:40-15:00: Thermodynamics and Stoichiometric Analysis of Microbial Adipic Acid Production - Veronica Martinez (University of Queensland)
- 15:00-15:15: Sodium and Potassium Hydroxide activation of Graphenic Carbon Nitride for the Carbon Dioxide Reduction - Julia (Meli) Fischer (University of Queensland)
- 15:15-15:30: Efficient Mapping of Lennard-Jones Parameter Space using a One Step Perturbation Approach: With Application to the Parameterization of Chorine for Aromatic Compounds - Martin Stroet (University of Queensland)
- 15:30-15:45: Two-Dimensional Boron-based Dirac Materials - Yalong Jiao (Queensland University of Technology)
- 15:45-16:00: Kinetic Monte Carlo as an Alternative Simulation Tool to the Metropolis Monte Carlo - Shiliang Tan (University of Queensland)
16:00–16:15 Awards and Concluding remarks by Professor Debra Bernhardt
16:15-17:30 Afternoon tea/Mixer
