[HTML][HTML] Harmonic surface mapping algorithm for molecular dynamics simulations of particle systems with planar dielectric interfaces
We have developed an accurate and efficient method for molecular dynamics simulations of
charged particles confined by planar dielectric interfaces. The algorithm combines the image …
charged particles confined by planar dielectric interfaces. The algorithm combines the image …
HSMA: An O (N) electrostatics package implemented in LAMMPS
We implement two recently developed fast Coulomb solvers, HSMA3D (Zhao et
al.(2018)[49]) and HSMA2D (Liang et al.(2020)[50]), into a new user package HSMA for the …
al.(2018)[49]) and HSMA2D (Liang et al.(2020)[50]), into a new user package HSMA for the …
[PDF][PDF] A high-accurate fast Poisson solver based on harmonic surface mapping algorithm
Poisson's equations in a cuboid are frequently solved in many scientific and engineering
applications such as electric structure calculations, molecular dynamics simulations and …
applications such as electric structure calculations, molecular dynamics simulations and …
[HTML][HTML] Расчет постоянных Маделунга для оценки энергии ионной связи в кристаллах оксидов с кубической, тетрагональной и ромбической сингониями
ВН Макаров - Известия высших учебных заведений. Поволжский …, 2020 - cyberleninka.ru
Актуальность и цели. Постоянная Маделунга играет важную роль в понимании свойств
и поведения кристаллических твердых тел, поскольку связывает электростатический …
и поведения кристаллических твердых тел, поскольку связывает электростатический …
Harmonic surface mapping algorithm for electrostatic potentials in an atomistic/continuum hybrid model for electrolyte solutions
J Fu, Z Gan - arXiv preprint arXiv:1907.01724, 2019 - arxiv.org
Simulating charged many-body systems has been a computational demanding task due to
the long-range nature of electrostatic interaction. For the multi-scale model of electrolytes …
the long-range nature of electrostatic interaction. For the multi-scale model of electrolytes …
[PDF][PDF] Harmonic surface mapping algorithm for a dielectric sphere immersed in electrolytes
J Fu, Z Gan, Z Xu - arXiv preprint arXiv:1907.01724, 2019 - researchgate.net
A harmonic surface mapping algorithm (HSMA) is presented for accurately solving the
linearized Poisson–Boltzmann equation for a dielectric sphere immersed in electrolytes. By …
linearized Poisson–Boltzmann equation for a dielectric sphere immersed in electrolytes. By …