In a recent paper, it was shown that, under the action of lateral van der Waals (vdW) force due to perfectly conducting corrugated surface, neutral anisotropic polarizable particle in vacuum can be attracted not only nearest corrugation peak but also valley or an intermediate point between and valley, with such behaviors called peak, regimes, respectively. present we investigate how these regim...

The importance of accurately treating van der Waals interactions between the quantum mechanical (QM) and molecular mechanical (MM) atoms in hybrid QM/MM simulations has been investigated systematically. First, a set of van der Waals (vdW) parameters was optimized for an approximate density functional method, the self-consistent charge-tight binding density functional (SCC-DFTB) approach, based ...

Corrections to Newton's gravitational law inspired by extra dimensional physics and by the exchange of light and massless elementary particles between the atoms of two macrobodies are considered. These corrections can be described by the potentials of Yukawa-type and by the power-type potentials with different powers. The strongest up to date constraints on the corrections to Newton's gravitati...

A general all-atom force field for atomistic simulation of common organic molecules, inorganic small molecules, and polymers was developed using state-of-the-art ab initio and empirical parametrization techniques. The valence parameters and atomic partial charges were derived by fitting to ab initio data, and the van der Waals (vdW) parameters were derived by conducting MD simulations of molecu...

We present a model of the dynamical transition of atomic displacements in proteins. Increased mean-square displacement at higher temperatures is caused by the softening of the force constant for atomic/molecular displacements by electrostatic and van der Waals forces from the protein-water thermal bath. Displacement softening passes through a nonergodic dynamical transition when the relaxation ...

Direct force measurements between silica particles were carried out using the colloidal probe technique, which is based on an atomic force microscope (AFM). The forces were investigated in aqueous solutions of ionic liquids (ILs) containing 1-butyl-3-methylimidazolium (BMIM) cations and chloride, dicyanamide, and thiocyanate as anions up to concentrations of about 1 M. The results were compared...

We reported an automated dielectrophoretic (DEP) tweezers-based force spectroscopy system to examine intermolecular weak binding interactions, which consists of three components: (1) interdigitated electrodes and micro-sized polystyrene particles used as DEP tweezers and probes inside a microfluidic device, along with an arbitrary function generator connected to a high voltage amplifier; (2) mi...

A strict theory of reciprocal influence of the contact deformation and molecular attraction of a ball and a plane has been developed. It has been shown that despite the van der Waals' forces being capable of increasing the elastic contact area between the ball and the plane, the force that is required to overcome the molecular forces arising when the contact is broken does not increase thereby....