It's a huge privilege to be able to inspire the next generation of scientists. I enjoy challenging the students and helping guide them to understand complex concepts and solve problems. Tackling these topics enables them to build confidence and resilience through their hard work.
I teach through a mixture of:
It requires lots of hard work ... by both the students & me!
Theoretical chemistry is a challenging subject that requires you to be able to analyse problems, identify the key questions and apply a wide range of techniques to produce solutions. It's a mixture of core chemical principles and lots of mathematics to develop models that can be applied to lots of real world applications. Thus, it is possible to study:
Computational calculations enable you to analyse a large number of systems, provide an understanding of processes at an electronic level & guidance to experimentalists as to where they should focus their efforts.
The complexity and variety of the subject make it compelling - never boring.
The modules I teach include:
My research extends from the development of computational optimisation algorithms and inter-atomic potentials to probing real-life applications using a range of computational levels of theory and techniques.
Areas of interest include:
P. MONK MATEMATICA PARA QUIMICA UMA CAIXA DE FERRAMENTAS DE CALCULO.
P. Monk, LJ. Munro (2010). Maths for Chemistry. OUP Oxford.
LJ. Munro, DJ. Wales Defect migration in crystalline silicon. Physical Review B. 59(6), pp.3969-3980.
CM. Liauw, RL. Taylor, LJ. Munro, AN. Wilkinson, O. Cheerarot (2014). Effect of Triclosan on Self-Assembly of Alkyl Ammonium Surfactants Adsorbed within Montmorillonite Galleries in Silicone Elastomer Composites. Macromolecular Symposia. 338(1), pp.45-53.
GD. Bingley, J. Verran, LJ. Munro, CE. Banks (2012). Identification of microbial volatile organic compounds (MVOCs) emitted from fungal isolates found on cinematographic film. Analytical Methods. 4(5), pp.1265-1271.
DAC. Brownson, LJ. Munro, DK. Kampouris, CE. Banks (2011). Electrochemistry of graphene: Not such a beneficial electrode material?. RSC Advances. 1(6), pp.978-988.
LJ. Munro, A. Curioni, W. Andreoni, C. Yeretzian, H. Watzke (2003). The Elusiveness of Coffee Aroma: New Insights from a Non-empirical Approach. Journal of Agricultural and Food Chemistry. 51(10), pp.3092-3096.
LJ. Munro, A. Tharrington, KD. Jordan (2002). Global optimization and finite temperature simulations of atomic clusters: Use of XenArm clusters as test systems. Computer Physics Communications. 145(1), pp.1-23.
Y. Kumeda, DJ. Wales, LJ. Munro (2001). Transition states and rearrangement mechanisms from hybrid eigenvector-following and density functional theory. Chemical Physics Letters. 341(1-2), pp.185-194.
LJ. Munro, JK. Johnson, KD. Jordan (2001). An interatomic potential for mercury dimer. The Journal of Chemical Physics. 114(13), pp.5545-5551.
LJ. Munro, DJ. Wales (1997). Rearrangements of bulk face-centred-cubic nickel modelled by a Sutton[ndash ]Chen potential. Faraday Discussions. 106, pp.409-423.
DJ. Wales, LJ. Munro (1996). Changes of Morphology and Capping of Model Transition Metal Clusters. The Journal of Physical Chemistry. 100(6), pp.2053-2061.
DJ. Wales, LJ. Munro, JPK. Doye (1996). What can calculations employing empirical potentials teach us about bare transition-metal clusters?. Journal of the Chemical Society, Dalton Transactions. pp.611-611.
N. Simbanegavi, P. Birkett, L. Tosheva, C. Banks, LJ. Munro (2014). Designing self-assembling nanomolecules: An integrated computational and experimental approach. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. San Francisco, CA, 10/8/2014.