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Department of Chemistry

 

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
A Reinhardt, CJ Pickard, B Cheng
– Physical Chemistry Chemical Physics
(2020)
22,
12697
Numerical calculation of free-energy barriers for entangled polymer nucleation.
X Tang, F Tian, T Xu, L Li, A Reinhardt
– The Journal of Chemical Physics
(2020)
152,
224904
Programming the Nucleation of DNA Brick Self‐Assembly with a Seeding Strand
Y Zhang, A Reinhardt, P Wang, J Song, Y Ke
– Angewandte Chemie - International Edition
(2020)
59,
8594
Programming the Nucleation of DNA Brick Self‐Assembly with a Seeding Strand
Y Zhang, A Reinhardt, P Wang, J Song, Y Ke
– Angewandte Chemie
(2020)
132,
8672
Phase behaviour of empirical potentials of titanium dioxide
A Reinhardt
– The Journal of Chemical Physics
(2019)
151,
064505
Microscopic analysis of thermo-orientation in systems of off-centre Lennard-Jones particles.
RL Jack, P Wirnsberger, A Reinhardt
– The Journal of chemical physics
(2019)
150,
134501
Lattice models and Monte Carlo methods for simulating DNA origami self-assembly.
A Cumberworth, A Reinhardt, D Frenkel
– J Chem Phys
(2018)
149,
234905
Direct observation and rational design of nucleation behavior in addressable self-assembly
M Sajfutdinow, WM Jacobs, A Reinhardt, C Schneider, DM Smith
– Proceedings of the National Academy of Sciences
(2018)
115,
E5877
Theoretical Prediction of Thermal Polarization
P Wirnsberger, C Dellago, D Frenkel, A Reinhardt
– Physical Review Letters
(2018)
120,
226001
Investigating the role of boundary bricks in DNA brick self-assembly.
HK Wayment-Steele, D Frenkel, A Reinhardt
– Soft matter
(2017)
13,
1670
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Research Interest Group

Telephone number

01223 336471 (shared)

Email address

ar732@cam.ac.uk