Related papers: First principles molecular dynamics simulation of …
The paper has been withdrawn by the author, due to it being fundamentally flawed. The author apologizes for any inconvenience it may have caused.
We propose a new model for the description of complex granular particles and their interaction in molecular dynamics simulations of granular material in two dimensions. The grains are composed of triangles which are connected by deformable…
This paper has been withdrawn by the author due to a crucial errors.
We develop a lattice-based Monte Carlo simulation method for charged mixtures capable of treating dielectric heterogeneities. Using this method, we study oil-water mixtures containing an antagonistic salt, with hydrophilic cations and…
We study ion pair dissociation in water at ambient conditions using a combination of classical and ab initio approaches. The goal of this study is to disentangle the sources of discrepancy observed in computed potentials of mean force. In…
This paper has been withdrawn by the author due to the incorrect application of the divergence theorem to Eqs 7, 8 and 9.
In a recent article [J. G. Wang, U. Dhumal, M. E. Zakhari, and R. N. Zia, AIChE Journal 72, e70275 (2026).], the authors discuss the absence of simulations of monodisperse hard spheres in which a metastable fluid spontaneously nucleates…
This paper has been withdrawn by the authors due to an unlikely results.
This paper has been withdrawn by the author due to some problems.
This paper is withdrawn. See quant-ph/9806031 for a discussion.
This paper has been withdrawn by the author due to a crucial error.
This paper has been withdrawn by the authors.
The paper has been withdrawn.
This paper has been withdrawn by the authors. Because of a misunderstanding, the paper was submitted prematurely to the arXiv. A replacement will follow.
Thermo-osmotic slip -- the flow induced by a thermal gradient along a surface -- is a well-known phenomenon, but curiously there is a lack of robust molecular-simulation techniques to predict its magnitude. Here, we compare three different…
This paper has been withdrawn by the author due to serious flaws in certain proofs. For instance, the method used to construct certain automorphic representations is flawed.
This paper has been withdrawn by the authors due to a possible inconsistency in the program code.
This paper is withdrawn. A revised and expanded version of this work is available as hep-ph/9603323.
Density functional theory and ab initio molecular dynamics simulations are applied to investigate the migration of Mn(II) ions to above-surface sites on spinel Li(x)Mn(2)O(4) (001) surfaces, the subsequent Mn dissolution into the organic…
Multiple time-scale algorithms exploit the natural separation of time-scales in chemical systems to greatly accelerate the efficiency of molecular dynamics simulations. Although the utility of these methods in systems where the interactions…