In my research, I normally use computer simulations and classical statistical mechanics to study the behaviour of molecular and colloidal systems. In particular, I am interested in nucleation and self-assembly – and combinations of the two – and how thermodynamic and kinetic factors affect and control them.
Publications
Predicting the phase diagram of titanium dioxide with random search and pattern recognition
– Physical Chemistry Chemical Physics
(2020)
22,
12697
(DOI: 10.1039/d0cp02513e)
Numerical calculation of free-energy barriers for entangled polymer nucleation.
– The Journal of Chemical Physics
(2020)
152,
224904
(DOI: 10.1063/5.0009716)
Programming the Nucleation of DNA Brick Self‐Assembly with a Seeding Strand
– Angewandte Chemie - International Edition
(2020)
59,
8594
(DOI: 10.1002/anie.201915063)
Programming the Nucleation of DNA Brick Self‐Assembly with a Seeding Strand
– Angewandte Chemie
(2020)
132,
8672
(DOI: 10.1002/ange.201915063)
Phase behaviour of empirical potentials of titanium dioxide
– The Journal of Chemical Physics
(2019)
151,
064505
(DOI: 10.1063/1.5115161)
Microscopic analysis of thermo-orientation in systems of off-centre Lennard-Jones particles.
– The Journal of chemical physics
(2019)
150,
134501
(DOI: 10.1063/1.5089541)
Lattice models and Monte Carlo methods for simulating DNA origami self-assembly.
– J Chem Phys
(2018)
149,
234905
(DOI: 10.1063/1.5051835)
Direct observation and rational design of nucleation behavior in addressable self-assembly
– Proceedings of the National Academy of Sciences
(2018)
115,
E5877
(DOI: 10.1073/pnas.1806010115)
Theoretical Prediction of Thermal Polarization
– Physical Review Letters
(2018)
120,
226001
Investigating the role of boundary bricks in DNA brick self-assembly.
– Soft matter
(2017)
13,
1670
(DOI: 10.1039/c6sm02719a)
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