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Yusuf Hamied Department of Chemistry

 

Publications by Professor Daan Frenkel ForMemRS

Using Molecular Simulation to Compute Transport Coefficients of Molecular Gases
D Frenkel, X Wang, S Ramirez-Hinestrosa
– The journal of physical chemistry. B
(2020)
124,
7636
(DOI: 10.1021/acs.jpcb.0c04462)
Liquid network connectivity regulates the stability and composition of biomolecular condensates with many components
JR Espinosa, JA Joseph, I Sanchez-Burgos, A Garaizar, D Frenkel, R Collepardo-Guevara
– Proc Natl Acad Sci U S A
(2020)
117,
13238
(DOI: 10.1073/pnas.1917569117)
Reactive Momentum Transfer Contributes to the Self-Propulsion of Janus Particles
S Eloul, WCK Poon, O Farago, D Frenkel
– Physical review letters
(2020)
124,
188001
(DOI: 10.1103/physrevlett.124.188001)
Reactive momentum transfer contributes to the self propulsion of Janus particles
S Eloul, WCK Poon, O Farago, D Frenkel
– Physical Review Letters
(2020)
124,
188001
(DOI: 10.1103/physrevlett.124.188001)
Studying polymer diffusiophoresis with Non-Equilibrium Molecular Dynamics
S Ramírez-Hinestrosa, H Yoshida, L Bocquet, D Frenkel
– The Journal of Chemical Physics
(2020)
152,
164901
(DOI: 10.1063/5.0007235)
Computational design of probes to detect bacterial genomes by multivalent binding
T Curk, CA Brackley, JD Farrell, Z Xing, D Joshi, S Direito, U Bren, S Angioletti-Uberti, J Dobnikar, E Eiser, D Frenkel, RJ Allen
– Proc Natl Acad Sci U S A
(2020)
117,
8719
(DOI: 10.1073/pnas.1918274117)
Information density, structure and entropy in equilibrium and non-equilibrium systems
M Zu, A Bupathy, D Frenkel, S Sastry
– Journal of Statistical Mechanics: Theory and Experiment
(2020)
2020,
023204
(DOI: 10.1088/1742-5468/ab684b)
Effect of the interaction strength and anisotropy on the diffusio-phoresis of spherical colloids.
J Wei, S Ramírez-Hinestrosa, J Dobnikar, D Frenkel
– Soft Matter
(2020)
16,
3621
(DOI: 10.1039/c9sm02053e)
The Lennard-Jones potential: when (not) to use it.
X Wang, S Ramírez-Hinestrosa, J Dobnikar, D Frenkel
– Phys Chem Chem Phys
(2019)
22,
10624
(DOI: 10.1039/c9cp05445f)
Heterogeneous versus homogeneous crystal nucleation of hard spheres.
JR Espinosa, C Vega, C Valeriani, D Frenkel, E Sanz
– Soft Matter
(2019)
15,
9625
(DOI: 10.1039/c9sm01142k)
Comparing theory and simulation for thermo-osmosis.
K Proesmans, D Frenkel
– Journal of Chemical Physics
(2019)
151,
124109
(DOI: 10.1063/1.5123164)
Breakdown of the law of rectilinear diameter and related surprises in the liquid-vapor coexistence in systems of patchy particles.
JR Espinosa, A Garaizar, C Vega, D Frenkel, R Collepardo-Guevara
– Journal of Chemical Physics
(2019)
150,
224510
(DOI: 10.1063/1.5098551)
The pathway and kinetics of hierarchical assembly of ionic oligomers into a lyotropic columnar phase
W Huang, S Wei, D Frenkel, N Huang
– Soft Matter
(2019)
15,
4460
(DOI: 10.1039/c9sm00383e)
Solubilities of pyrene in organic solvents: Comparison between chemical potential calculations using a cavity-based method and direct coexistence simulations
CR Wand, M Fayaz-Torshizi, G Jiménez-Serratos, EA Müller, D Frenkel
– Journal of Chemical Thermodynamics
(2019)
131,
620
(DOI: 10.1016/j.jct.2018.11.029)
Multivalent Recognition at Fluid Surfaces: The Interplay of Receptor Clustering and Superselectivity.
GV Dubacheva, T Curk, D Frenkel, RP Richter
– J Am Chem Soc
(2019)
141,
2577
(DOI: 10.1021/jacs.8b12553)
From simple liquids to colloids and soft matter
R Evans, D Frenkel, M Dijkstra
– Physics Today
(2019)
72,
38
(DOI: 10.1063/PT.3.4135)
Structural and Linear Elastic Properties of DNA Hydrogels by Coarse-Grained Simulation
Z Xing, C Ness, D Frenkel, E Eiser
– Macromolecules
(2019)
52,
504
(DOI: 10.1021/acs.macromol.8b01948)
Foreword
D Frenkel
(2019)
3,
v
(DOI: 10.1016/s0167-5060(08)70491-6)
Lattice models and Monte Carlo methods for simulating DNA origami self-assembly.
A Cumberworth, A Reinhardt, D Frenkel
– The Journal of Chemical Physics
(2018)
149,
234905
(DOI: 10.1063/1.5051835)
Calculation of the water-octanol partition coefficient of cholesterol for SPC, TIP3P, and TIP4P water.
JR Espinosa, CR Wand, C Vega, E Sanz, D Frenkel
– The Journal of Chemical Physics
(2018)
149,
224501
(DOI: 10.1063/1.5054056)

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