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Welcome to the Reinhardt group pages

We are a computational chemistry group working in the broad field of statistical mechanics. We are interested in the behaviour of various materials, from atomic and molecular to soft condensed matter. In particular, we are interested in phase behaviour, nucleation and self-assembly. Quantifying bulk phase behaviour requires extensive sampling of phase space, which would be prohibitively expensive using first-principles methods. At the same time, understanding the dynamics of a process from a microscopic perspective is often beyond the reach of experiment. As a result, clever simulation methods are required to be able to study such processes, and we are interested in developing suitable methods to tackle different systems.

Recent Publications

A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals
A Reinhardt, PY Chew, B Cheng
– The Journal of chemical physics
(2023)
159,
184110
A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals
A Reinhardt, PY Chew, B Cheng
(2023)
Quantitative real-time in-cell imaging reveals heterogeneous clusters of proteins prior to condensation.
C Lan, J Kim, S Ulferts, F Aprile-Garcia, S Weyrauch, A Anandamurugan, R Grosse, R Sawarkar, A Reinhardt, T Hugel
– Nat Commun
(2023)
14,
4831
Aromatic and arginine content drives multiphasic condensation of protein-RNA mixtures.
PY Chew, JA Joseph, R Collepardo-Guevara, A Reinhardt
– Biophysical Journal
(2023)
123,
S0006-3495(23)00412-5
Aromatic and arginine content drives multiphasic condensation of protein–RNA mixtures
PY Chew, J Joseph, R Collepardo-Guevara, A Reinhardt
(2023)
Physical determinants of multiphase organisation in multi-component protein/RNA condensates
PY Chew, JA Joseph, R Collepardo-Guevara, A Reinhardt
– Biophysical Journal
(2023)
122,
295A
Thermodynamic origins of two-component multiphase condensates of proteins.
PY Chew, JA Joseph, R Collepardo-Guevara, A Reinhardt
– Chem Sci
(2023)
14,
2022.04.22.489187
Signaling by cluster formation investigated with single-molecule fluorescence in living cells
S Weyrauch, C Lan, J Kim, S Ulferts, F Aprile-Garcia, A Anandamurugan, R Grosse, R Sawarkar, A Reinhardt, T Hugel
– EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
(2023)
52,
S213