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Yusuf Hamied Department of Chemistry

 
Receptor clustering tunes and sharpens the selectivity of multivalent binding
Z Xie, S Angioletti-Uberti, J Dobnikar, D Frenkel, T Curk
– Proc Natl Acad Sci U S A
(2025)
122,
e2417159122
Thermodynamic properties of pinned nanobubbles.
H Zhang, Z Guo, D Frenkel, J Dobnikar, X Zhang
– The Journal of Chemical Physics
(2024)
161,
204505
Self-replication of Aβ<inf>42</inf> aggregates occurs on small and isolated fibril sites
S Curk, J Krausser, G Meisl, D Frenkel, S Linse, TCT Michaels, TPJ Knowles, A Šarić
– Proceedings of the National Academy of Sciences of the United States of America
(2024)
121,
e2220075121
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)
Numerical Test of the Onsager Relations in a Driven System
X Wang, J Dobnikar, D Frenkel
– Physical Review Letters
(2022)
129,
238002
Simulations of DNA-Origami Self-Assembly Reveal Design-Dependent Nucleation Barriers.
A Cumberworth, D Frenkel, A Reinhardt
– Nano Lett
(2022)
22,
6916
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
Special issue in honour of Michael L. Klein FRS
R Evans, D Frenkel, A Galindo, G Jackson
– Molecular Physics
(2021)
119,
e1999639
Thermodynamics and kinetics of crystallization in deeply supercooled Stillinger-Weber silicon
Y Goswami, VV Vasisht, D Frenkel, PG Debenedetti, S Sastry
– The Journal of Chemical Physics
(2021)
155,
194502
Challenges in modelling diffusiophoretic transport
S Ramírez-Hinestrosa, D Frenkel
– The European Physical Journal B
(2021)
94,
199
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
Estimation of the equilibrium free energy for glasses using the Jarzynski equality
HA Vinutha, D Frenkel
– Journal of Chemical Physics
(2021)
154,
231101
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: An International Journal at the Interface Between Chemistry and Physics
(2021)
119,
e1936247
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
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
– Journal of Chemical Physics
(2021)
154,
164509
Computation of the chemical potential and solubility of amorphous solids
HA Vinutha, D Frenkel
– Journal of Chemical Physics
(2021)
154,
124502
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
Nano-Pump based on Exothermic Surface Reactions
S Eloul, D Frenkel
– Soft matter
(2021)
17,
1173
Numerical method for computing the free energy of glasses
HA Vinutha, D Frenkel
– Physical Review E
(2020)
102,
063303
Computing the Heat Conductivity of Fluids from Density Fluctuations.
B Cheng, D Frenkel
– Physical Review Letters
(2020)
125,
130602