23 citations · 62 across the 6 of their papers we have counts for
6 papers
The ENUF Method -- Ewald Summation based on Non-Uniform Fast Fourier Transform: Implementation, Parallelization, and Application
Sheng-Chun Yang, Bin Li, You-Liang Zhu +2
Computer simulations of model systems are widely used to explore striking phenomena in promising applications spanning from physics, chemistry, biology, to materials science and en…
How Molecular Chiralities of Bis(mandelato)borate Anions affect Their Binding Structures with Alkali Metal Ions and Microstructural Properties in Tetraalkylphosphonium Ionic Liquids
Han-Wen Pei, Bin Li, Aatto Laaksonen +1
Spiroborate anions based inorganic electrolytes and ionic liquids (ILs) have fascinating electrochemical and tribological properties, and have received widespread attention in indu…
Microstructures and Dynamics of Tetraalkylphosphonium Chloride Ionic Liquids
Yong-Lei Wang, Bin Li, Sten Sarman +1
Atomistic simulations have been performed to investigate the effect of aliphatic chain length in tetraalkylphosphonium cations on liquid morphologies, microscopic ionic structures…
Formation of the Smectic-B Crystal from a Simple Monatomic Liquid
A. Metere, T. Oppelstrup, S. Sarman +2
We report a molecular dynamics simulation demonstrating that the Smectic B crystalline phase (Cr-B), commonly observed in mesogenic systems of anisotropic molecules, can be formed…
Implementation of non-uniform FFT based Ewald summation in Dissipative Particle Dynamic method
Yong-Lei Wang, Aatto Laaksonen, Zhong-Yuan Lu
The ENUF method, i.e., Ewald summation based on the Non-Uniform FFT technique (NFFT), is implemented in Dissipative Particle Dynamics (DPD) simulation scheme to fast and accurately…
On coarse-graining by the Inverse Monte Carlo method: Dissipative Particle Dynamics simulations made to a precise tool in soft matter modeling
A. P. Lyubartsev, M. Karttunen, I. Vattulainen +1
We present a promising coarse-graining strategy for linking micro- and mesoscales of soft matter systems. The approach is based on effective pairwise interaction potentials obtaine…