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- Currently displaying 21 - 40 of 52 publications
Quantum-mechanical exploration of the phase diagram of water.
– Nature Communications
(2021)
12,
588
(doi: 10.1038/s41467-020-20821-w)
Predicting the phase diagram of titanium dioxide with random search and pattern recognition.
– Physical chemistry chemical physics : PCCP
(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 SelfâAssembly with a Seeding Strand
– Angewandte Chemie
(2020)
132,
8672
(doi: 10.1002/ange.201915063)
Programming the nucleation of DNA brick self-assembly with a seeding strand
– Angewandte Chemie - International Edition
(2020)
59,
8594
(doi: 10.1002/anie.201915063)
Predicting the phase diagram of titanium dioxide with random search and pattern recognition
(2019)
(doi: 10.48550/arxiv.1909.08934)
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
– The Journal of chemical physics
(2018)
149,
234905
(doi: 10.1063/1.5051835)
Monolithic Photoelectrochemical Device for Direct Water Splitting with 19% Efficiency
– ACS Energy Letters
(2018)
3,
1795
Direct observation and rational design of nucleation behavior in addressable self-assembly.
– Proc Natl Acad Sci U S A
(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)
Self-assembly of two-dimensional binary quasicrystals: a possible route to a DNA quasicrystal.
– Journal of Physics: Condensed Matter
(2017)
29,
014006
Bayesian Analysis of Continuous Time Markov Chains with Application to Phylogenetic Modelling
– Bayesian Analysis
(2016)
11,
1203
(doi: 10.1214/15-ba982)
DNA brick self-assembly with an off-lattice potential.
– Soft Matter
(2016)
12,
6253
(doi: 10.1039/c6sm01031h)
Free energies of solvation in the context of protein folding: Implications for implicit and explicit solvent models
– J. Comput. Chem.
(2015)
37,
629
(doi: 10.1002/jcc.24235)
Effects of co-ordination number on the nucleation behaviour in many-component self-assembly.
– Faraday Discussions
(2015)
186,
215
(doi: 10.1039/c5fd00135h)
Rational design of self-assembly pathways for complex multicomponent structures.
– Proceedings of the National Academy of Sciences of the United States of America
(2015)
112,
6313
(doi: 10.1073/pnas.1502210112)
Communication: Theoretical prediction of free-energy landscapes for complex self-assembly
– The Journal of Chemical Physics
(2015)
142,
021101
(doi: 10.1063/1.4905670)