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Yusuf Hamied Department of Chemistry

 

Publications by Professor Daan Frenkel ForMemRS

Receptor clustering tunes and sharpens the selectivity of multivalent binding
Z Xie, S Angioletti-Uberti, J Dobnikar, D Frenkel, T Curk
– Proceedings of the National Academy of Sciences
(2025)
122,
e2417159122
(DOI: 10.1073/pnas.2417159122)
Thermodynamic properties of pinned nanobubbles.
H Zhang, Z Guo, D Frenkel, J Dobnikar, X Zhang
– The Journal of chemical physics
(2024)
161,
204505
(DOI: 10.1063/5.0225131)
Self-replication of Aβ42 aggregates occurs on small and isolated fibril sites
S Curk, J Krausser, G Meisl, D Frenkel, S Linse, TCT Michaels, TPJ Knowles, A Šarić
– Proc Natl Acad Sci U S A
(2024)
121,
e2220075121
(DOI: 10.1073/pnas.2220075121)
Self-replication of A<i>β</i><sub>42</sub>aggregates occurs on small and isolated fibril sites
S Curk, J Krausser, G Meisl, D Frenkel, S Linse, T Michaels, T Knowles, A Šarić
(2023)
(DOI: 10.1101/2023.07.05.547777)
Numerical Test of the Onsager Relations in a Driven System.
X Wang, J Dobnikar, D Frenkel
– Physical review letters
(2022)
129,
238002
(DOI: 10.1103/PhysRevLett.129.238002)
Simulations of DNA-Origami Self-Assembly Reveal Design-Dependent Nucleation Barriers.
A Cumberworth, D Frenkel, A Reinhardt
– Nano letters
(2022)
22,
6916
(DOI: 10.1021/acs.nanolett.2c01372)
Temperature protocols to guide selective self-assembly of competing structures
A Bupathy, D Frenkel, S Sastry
– Proceedings of the National Academy of Sciences
(2022)
119,
e2119315119
(DOI: 10.1073/pnas.2119315119)
Special issue in honour of Michael L. Klein FRS
R Evans, D Frenkel, A Galindo, G Jackson
– Molecular Physics
(2021)
119,
e1999639
(DOI: 10.1080/00268976.2021.1999639)
Thermodynamics and kinetics of crystallization in deeply supercooled Stillinger–Weber silicon
Y Goswami, VV Vasisht, D Frenkel, PG Debenedetti, S Sastry
– Journal of Chemical Physics
(2021)
155,
194502
(DOI: 10.1063/5.0069475)
Challenges in modelling diffusiophoretic transport
S Ramírez-Hinestrosa, D Frenkel
– The European Physical Journal B
(2021)
94,
199
(DOI: 10.1140/epjb/s10051-021-00209-5)
Modelling aggregates of cetyltrimethylammonium bromide on gold surfaces using dissipative particle dynamics simulations
Y Liu, J Wei, D Frenkel, A Widmer-Cooper
– Molecular Simulation
(2021)
48,
872
(DOI: 10.1080/08927022.2021.1948546)
Estimation of the equilibrium free energy for glasses using the Jarzynski equality
HA Vinutha, D Frenkel
– The Journal of chemical physics
(2021)
154,
231101
(DOI: 10.1063/5.0053531)
Effect of social distancing on super-spreading diseases: why pandemics modelling is more challenging than molecular simulation
D Frenkel, X Wang, J Dobnikar
– Molecular Physics
(2021)
119,
e1936247
(DOI: 10.1080/00268976.2021.1936247)
Reduced variance analysis of molecular dynamics simulations by linear combination of estimators
SW Coles, E Mangaud, D Frenkel, B Rotenberg
– The Journal of chemical physics
(2021)
154,
191101
(DOI: 10.1063/5.0053737)
Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants.
V Khanna, J Anwar, D Frenkel, MF Doherty, B Peters
– The Journal of Chemical Physics
(2021)
154,
164509
(DOI: 10.1063/5.0044833)
Computation of the chemical potential and solubility of amorphous solids.
HA Vinutha, D Frenkel
– The Journal of chemical physics
(2021)
154,
124502
(DOI: 10.1063/5.0038955)
Thermodynamics and kinetics of phase separation of protein-RNA mixtures by a minimal model
JA Joseph, JR Espinosa, I Sanchez-Burgos, A Garaizar, D Frenkel, R Collepardo-Guevara
– Biophysical Journal
(2021)
120,
1219
(DOI: 10.1016/j.bpj.2021.01.031)
Nano-pump based on exothermic surface reactions
S Eloul, D Frenkel
– Soft matter
(2021)
17,
1173
(DOI: 10.1039/d0sm02079f)
Numerical method for computing the free energy of glasses.
HA Vinutha, D Frenkel
– Physical Review E
(2020)
102,
063303
(DOI: 10.1103/physreve.102.063303)
Computing the Heat Conductivity of Fluids from Density Fluctuations
B Cheng, D Frenkel
– Phys Rev Lett
(2020)
125,
130602
(DOI: 10.1103/PhysRevLett.125.130602)

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