Surface functionalization of metal nanoparticles (NPs), eg, using peptides and proteins, has
recently attracted a considerable attention in the field of design of therapeutics and …

Molecular dynamics algorithms for systems of particles interacting through discrete or “hard”
potentials are fundamentally different to the methods for continuous or “soft” potential …

Revised thermodynamic and dynamical properties of the hard sphere (HS) system are
obtained from extensive molecular dynamics calculations carried out with large system sizes …

We present a continuous pseudo-hard-sphere potential based on a cut-and-shifted Mie
(generalized Lennard-Jones) potential with exponents (50, 49). Using this potential one can …

We study the mean-field Poisson–Boltzmann equation in the context of dense ionic liquids
where steric effects become important. We generalise lattice gas theory by introducing a …

The numerical challenges of SAFT EoS models Page 1 Rev Chem Eng 27 (2011): 241–251 ©
2011 by Walter de Gruyter • Berlin • Boston. DOI 10.1515/REVCE.2011.009 The numerical …

Virial coefficients B n of three-dimensional hard spheres are reported for n= 5 to 11, with
precision exceeding that presently available in the literature. Calculations are performed …

We simulate crystallization and melting with local Monte Carlo (LMC), with event-chain
Monte Carlo (ECMC), and with event-driven molecular dynamics (EDMD) in systems with up …

The growth behaviour of liquid nucleus is crucial for crystal melting, but its kinetics is difficult
to predict and remains challenging in experiment. Here we directly observed the growth of …

In the present study, small-angle X-ray scattering (SAXS) and static light scattering (SLS)
have been used to study the solution properties and self-interaction of recombinant human …