Peter Cummings – a pillar in the field of statistical mechanics and molecular simulation.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3479, doi. 10.1080/00268976.2019.1684664
- Publication type:
- Article
Works in Molecular Physics, 2019, Vol 117, Issue 23/24
Results: 41
1
2
Molecular insight into structures of monocationic and dicationic ionic liquids in mica slits.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3957, doi. 10.1080/00268976.2019.1678773
- By:
- Publication type:
- Article
3
Understanding the structure and dynamical properties of stretched water by molecular dynamics simulation.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3852, doi. 10.1080/00268976.2019.1669835
- By:
- Publication type:
- Article
4
Energy flow in thermostatted non-equilibrium molecular dynamics simulations.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3812, doi. 10.1080/00268976.2019.1668573
- By:
- Publication type:
- Article
5
Alchemical molecular dynamics for inverse design.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3968, doi. 10.1080/00268976.2019.1680886
- By:
- Publication type:
- Article
6
Molecular simulation study of the glass transition in a soft primitive model for ionic liquids.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3941, doi. 10.1080/00268976.2019.1674935
- By:
- Publication type:
- Article
7
Intramolecular bonding in a statistical associating fluid theory of ring aggregates.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3884, doi. 10.1080/00268976.2019.1671619
- By:
- Publication type:
- Article
8
Estimation of kinematic viscosities at high pressures for binary mixtures CO<sub>2</sub> + solvent using modified Eyring–Wilson and McAllister models.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3913, doi. 10.1080/00268976.2019.1671618
- By:
- Publication type:
- Article
9
Molecular simulations of phenol and ibuprofen removal from water using multilayered graphene oxide membranes.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3703, doi. 10.1080/00268976.2019.1662129
- By:
- Publication type:
- Article
10
Behaviour of rarified steam at very high temperature an orientation-averaged interaction potential approach towards its accurate description.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3922, doi. 10.1080/00268976.2019.1671617
- By:
- Publication type:
- Article
11
Cyclopentane hydrate slurry viscosity measurements coupled with visualisation.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3860, doi. 10.1080/00268976.2019.1670877
- By:
- Publication type:
- Article
12
Friction and normal forces of model friction modifier additives in simulations of boundary lubrication.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3871, doi. 10.1080/00268976.2019.1670876
- By:
- Publication type:
- Article
13
Effect of fluorination on the partitioning of alcohols.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3827, doi. 10.1080/00268976.2019.1669837
- By:
- Publication type:
- Article
14
Extension of the effective solid-fluid Steele potential for Mie force fields.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3840, doi. 10.1080/00268976.2019.1669836
- By:
- Publication type:
- Article
15
Thermodynamic perturbation theory for a valence-limited model of colloidal systems.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3695, doi. 10.1080/00268976.2019.1662124
- By:
- Publication type:
- Article
16
Shape-controlled crystallisation pathways in dense fluids of ccp-forming hard polyhedra.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3819, doi. 10.1080/00268976.2019.1668574
- By:
- Publication type:
- Article
17
Physical origin of the expansion of polymer coils in a binary solvent in the vicinity of its demixing critical point.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3806, doi. 10.1080/00268976.2019.1667543
- By:
- Publication type:
- Article
18
Computational investigation of the performance of ZIF-8 with encapsulated ionic liquids towards CO<sub>2</sub> capture.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3791, doi. 10.1080/00268976.2019.1666170
- By:
- Publication type:
- Article
19
Ionic conductivity along transmembrane-electropores in human aquaporin 4: calcium effects from non-equilibrium molecular dynamics.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3783, doi. 10.1080/00268976.2019.1665725
- By:
- Publication type:
- Article
20
Modelling adsorption using an augmented two-dimensional statistical associating fluid theory: 2D-SAFT-VR Mie.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3770, doi. 10.1080/00268976.2019.1665724
- By:
- Publication type:
- Article
21
Thermodynamic properties of the 3D Lennard-Jones/spline model.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3754, doi. 10.1080/00268976.2019.1664780
- By:
- Publication type:
- Article
22
Alternative ensemble averages in molecular dynamics simulation of hard spheres.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3734, doi. 10.1080/00268976.2019.1664779
- By:
- Publication type:
- Article
23
Emergent biaxiality in nematic microflows illuminated by a laser beam.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3715, doi. 10.1080/00268976.2019.1663286
- By:
- Publication type:
- Article
24
Prediction of hydrogen adsorption in nanoporous materials from the energy distribution of adsorption sites.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3683, doi. 10.1080/00268976.2019.1658910
- By:
- Publication type:
- Article
25
Polar residues lining the binding cleft of a Serratia marcescens family 18 chitinase position the substrate for attack and stabilize associative interactions.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3664, doi. 10.1080/00268976.2019.1657600
- By:
- Publication type:
- Article
26
Study of ice nucleation on silver iodide surface with defects.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3651, doi. 10.1080/00268976.2019.1657599
- By:
- Publication type:
- Article
27
Amphiphilic peptide binding on crystalline vs. amorphous silica from molecular dynamics simulations.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3642, doi. 10.1080/00268976.2019.1657192
- By:
- Publication type:
- Article
28
Surface tension calculations of the cationic (CTAB) and the zwitterionic (SB3-12) surfactants using new force field models: a computational study.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3632, doi. 10.1080/00268976.2019.1656349
- By:
- Publication type:
- Article
29
Test of the Duh-Haymet-Henderson theory for mixtures: cavity correlation functions and excess volumes.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3623, doi. 10.1080/00268976.2019.1656348
- By:
- Publication type:
- Article
30
Characterising the throat diameter of through-pores in network structures using a percolation criterion.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3614, doi. 10.1080/00268976.2019.1654140
- By:
- Publication type:
- Article
31
Side-chain effects on the capacitive behaviour of ionic liquids in microporous electrodes.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3603, doi. 10.1080/00268976.2019.1650210
- By:
- Publication type:
- Article
32
Partial molar properties from molecular simulation using multiple linear regression.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3589, doi. 10.1080/00268976.2019.1648898
- By:
- Publication type:
- Article
33
Molecular dynamics simulations of the chiral recognition mechanism for a polysaccharide chiral stationary phase in enantiomeric chromatographic separations.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3569, doi. 10.1080/00268976.2019.1647360
- By:
- Publication type:
- Article
34
Clathrate hydrates: recent advances on CH<sub>4</sub> and CO<sub>2</sub> hydrates, and possible new frontiers.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3556, doi. 10.1080/00268976.2019.1646436
- By:
- Publication type:
- Article
35
On the liquid–vapour coexistence curve in a Lennard–Jones fluid.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3550, doi. 10.1080/00268976.2019.1645902
- By:
- Publication type:
- Article
36
Dynamic properties of aqueous electrolyte solutions from non-polarisable, polarisable, and scaled-charge models.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3538, doi. 10.1080/00268976.2019.1645901
- By:
- Publication type:
- Article
37
Off-centre charge model of the planar electric double layer for asymmetric 2:1/1:2 valencies.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3527, doi. 10.1080/00268976.2019.1642527
- By:
- Publication type:
- Article
38
Principle of corresponding states for hard polyhedron fluids.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3518, doi. 10.1080/00268976.2019.1640906
- By:
- Publication type:
- Article
39
Ion dissociation in aqueous 1-alkyl-3-methyl-imidazolium chlorides and the impact of microstructure formation.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3509, doi. 10.1080/00268976.2019.1635276
- By:
- Publication type:
- Article
40
Improving the accuracy of computing chemical potentials in CFCMC simulations.
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3493, doi. 10.1080/00268976.2019.1631497
- By:
- Publication type:
- Article
41
Solute-induced effects in solvation thermodynamics: does urea behave as a structure-making or structure-breaking solute?
- Published in:
- Molecular Physics, 2019, v. 117, n. 23/24, p. 3484, doi. 10.1080/00268976.2019.1606461
- By:
- Publication type:
- Article