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Yusuf Hamied Department of Chemistry

 

Recent Publications from the Theory Research Interest Group

Classical Quantum Friction at Water–Carbon Interfaces
AT Bui, FL Thiemann, A Michaelides, SJ Cox
– Nano letters
(2023)
23,
580
(DOI: 10.1021/acs.nanolett.2c04187)
Using Chemical and Biological Data to Predict Drug Toxicity
A Liu, S Seal, H Yang, A Bender
– SLAS Discov
(2023)
S2472-5552(22)13714-7
(DOI: 10.1016/j.slasd.2022.12.003)
Macroscopic behaviour in a two-species exclusion process via the method of matched asymptotics
J Mason, RL Jack, M Bruna
– Journal of Statistical Physics
(2023)
190,
47
(DOI: 10.1007/s10955-022-03036-9)
Macroscopic Behaviour in a Two-Species Exclusion Process Via the Method of Matched Asymptotics
J Mason, RL Jack, M Bruna
– Journal of Statistical Physics
(2023)
190,
47
(DOI: 10.1007/s10955-022-03036-9)
Thermodynamic origins of two-component multiphase condensates of proteins
PY Chew, JA Joseph, R Collepardo-Guevara, A Reinhardt
– Chemical Science
(2023)
2022.04.22.489187
(DOI: 10.1039/d2sc05873a)
Studies on the Transcorrelated Method
N Lee, AJW Thom
(2023)
Dynamic Diastereomerism on Chiral Surfaces
SC Matysik, DJ Wales, SJ Jenkins
– The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter
(2022)
127,
229
(DOI: 10.1021/acs.jpcc.2c06351)
Principles of assembly and regulation of condensates of Polycomb repressive complex 1 through phase separation
K Brown, PY Chew, S Ingersoll, JR Espinosa, A Aguirre, T Kutateladze, RC Guevara, X Ren
(2022)
(DOI: 10.1101/2022.12.26.521954)
Location and concentration of aromatic-rich segments dictates the percolating inter-molecular network and viscoelastic properties of ageing condensates
S Blazquez, I Sanchez-Burgos, J Ramirez, T Higginbotham, M Conde, R Collepardo-Guevara, A Tejedor, J Espinosa
(2022)
(DOI: 10.1101/2022.12.14.520383)
Phase diagrams-why they matter and how to predict them
PY Chew, A Reinhardt
– The Journal of Chemical Physics
(2022)
158,
030902
(DOI: 10.1063/5.0131028)
The density and pressure of helium nano-bubbles encapsulated in silicon
NC Pyper, AJW Thom, CT Whelan
(2022)
Prediction of inotropic effect based on calcium transients in human iPSC-derived cardiomyocytes and machine learning
H Yang, O Obrezanova, A Pointon, W Stebbeds, J Francis, KA Beattie, P Clements, JS Harvey, GF Smith, A Bender
– Toxicol Appl Pharmacol
(2022)
459,
116342
(DOI: 10.1016/j.taap.2022.116342)
Time-dependent material properties of ageing biomolecular condensates from different viscoelasticity measurements in molecular dynamics simulations
A Tejedor, R Collepardo-Guevara, J Ramírez, J Espinosa
(2022)
(DOI: 10.1101/2022.12.07.519428)
Entropy production and its large deviations in an active lattice gas
T Agranov, ME Cates, RL Jack
– Journal of Statistical Mechanics: Theory and Experiment
(2022)
2022,
123201
(DOI: 10.1088/1742-5468/aca0eb)
Role of initial conditions in one-dimensional diffusive systems: Compressibility, hyperuniformity, and long-term memory.
T Banerjee, RL Jack, ME Cates
– Physical review. E
(2022)
106,
l062101
(DOI: 10.1103/PhysRevE.106.L062101)
Retrospective analysis of the potential use of virtual control groups in preclinical toxicity assessment using the eTOX database
PSR Wright, GF Smith, KA Briggs, R Thomas, G Maglennon, P Mikulskis, M Chapman, N Greene, BU Phillips, A Bender
– Regul Toxicol Pharmacol
(2022)
138,
105309
(DOI: 10.1016/j.yrtph.2022.105309)
Statistical analysis of preclinical inter-species concordance of histopathological findings in the eTOX database.
PSR Wright, KA Briggs, R Thomas, GF Smith, G Maglennon, P Mikulskis, M Chapman, N Greene, BU Phillips, A Bender
– Regul Toxicol Pharmacol
(2022)
138,
105308
(DOI: 10.1016/j.yrtph.2022.105308)
Author Correction: Nested sampling for physical scientists
G Ashton, N Bernstein, J Buchner, X Chen, G Csányi, A Fowlie, F Feroz, M Griffiths, W Handley, M Habeck, E Higson, M Hobson, A Lasenby, D Parkinson, LB Pártay, M Pitkin, D Schneider, JS Speagle, L South, J Veitch, P Wacker, DJ Wales, D Yallup
– Nature Reviews Methods Primers
(2022)
2,
44
(DOI: 10.1038/s43586-022-00138-2)
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)
Dimensionality reduction of local structure in glassy binary mixtures.
D Coslovich, RL Jack, J Paret
– The Journal of Chemical Physics
(2022)
157,
204503
(DOI: 10.1063/5.0128265)

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