Dr Aleks Reinhardt | Yusuf Hamied Department of Chemistry

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Associate Professor

In my research, I use computer simulations and statistical mechanics to study the behaviour of molecular and colloidal systems. In particular, I am interested in phase transitions, nucleation and self-assembly, and how thermodynamic and kinetic factors affect and control them.

Dr Reinhardt discusses his research

Publications

Designing multiphase biomolecular condensates by coevolution of protein mixtures

PY Chew, J Joseph, R Collepardo-Guevara, A Reinhardt

– bioRxiv

(2022)

(DOI: 10.1101/2022.04.22.489187)

Simulations of DNA-origami self-assembly reveal design-dependent nucleation barriers

A Cumberworth, D Frenkel, A Reinhardt

(2022)

Same and interconvertible high-pressure ice phases

A Reinhardt, M Bethkenhagen, F Coppari, M Millot, S Hamel, B Cheng

(2022)

Physics-driven coarse-grained model for biomolecular phase separation with near-quantitative accuracy

JA Joseph, A Reinhardt, A Aguirre, PY Chew, KO Russell, JR Espinosa, A Garaizar, R Collepardo-Guevara

– Biophysical Journal

(2022)

121,

307A

(DOI: 10.1016/j.bpj.2021.11.1214)

Comparison of experimental phase diagrams and residue-level coarse-grained simulations of intrinsically disordered proteins

MJ Maristany, R Collepardo-Guevara, JA Joseph, A Reinhardt

– Biophysical Journal

(2022)

121,

471A

(DOI: 10.1016/j.bpj.2021.11.408)

Physics-driven coarse-grained model for biomolecular phase separation with near-quantitative accuracy

J Joseph, A Reinhardt, A Aguirre, PY Chew, K Russell, J Rene Espinosa, A Garaizar, R Collepardo Guevara

– Nature Computational Science

(2021)

1,

732

(DOI: 10.1038/s43588-021-00155-3)

Targeted modulation of protein liquid-liquid phase separation by evolution of amino-acid sequence

SM Lichtinger, A Garaizar, R Collepardo-Guevara, A Reinhardt

– PLOS Computational Biology

(2021)

17,

e1009328

(DOI: 10.1371/journal.pcbi.1009328)

Quantum-mechanical exploration of the phase diagram of water.

A Reinhardt, B Cheng

– Nat Commun

(2021)

12,

588

(DOI: 10.1038/s41467-020-20821-w)

Predicting the phase diagram of titanium dioxide with random search and pattern recognition

A Reinhardt, CJ Pickard, B Cheng

– Physical chemistry chemical physics : PCCP

(2020)

22,

12697

(DOI: 10.1039/d0cp02513e)

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

(DOI: 10.1063/5.0009716)