Orbital-free density functional theory: An attractive electronic structure method for large-scale first-principles simulations
Kohn–Sham Density Functional Theory (KSDFT) is the most widely used electronic structure
method in chemistry, physics, and materials science, with thousands of calculations cited …
method in chemistry, physics, and materials science, with thousands of calculations cited …
Incompact3d: A powerful tool to tackle turbulence problems with up to O(105) computational cores
Understanding the nature of complex turbulent flows remains one of the most challenging
problems in classical physics. Significant progress has been made recently using high …
problems in classical physics. Significant progress has been made recently using high …
[HTML][HTML] Xcompact3D: An open-source framework for solving turbulence problems on a Cartesian mesh
Xcompact3D is a Fortran 90–95 open-source framework designed for fast and accurate
simulations of turbulent flows, targeting CPU-based supercomputers. It is an evolution of the …
simulations of turbulent flows, targeting CPU-based supercomputers. It is an evolution of the …
[HTML][HTML] A FFT-based finite-difference solver for massively-parallel direct numerical simulations of turbulent flows
P Costa - Computers & Mathematics with Applications, 2018 - Elsevier
We present an efficient solver for massively-parallel direct numerical simulations of
incompressible turbulent flows. The method uses a second-order, finite-volume pressure …
incompressible turbulent flows. The method uses a second-order, finite-volume pressure …
On-the-fly artificial neural network for chemical kinetics in direct numerical simulations of premixed combustion
C Chi, G Janiga, D Thévenin - Combustion and Flame, 2021 - Elsevier
In this study, an on-the-fly artificial neural network (ANN) framework has been developed for
the tabulation of chemical reaction terms in direct numerical simulations (DNS) of premixed …
the tabulation of chemical reaction terms in direct numerical simulations (DNS) of premixed …
PFFT: An extension of FFTW to massively parallel architectures
M Pippig - SIAM Journal on Scientific Computing, 2013 - SIAM
We present an MPI based software library for computing fast Fourier transforms (FFTs) on
massively parallel, distributed memory architectures based on the Message Passing …
massively parallel, distributed memory architectures based on the Message Passing …
An optimal control framework for dynamic induction control of wind farms and their interaction with the atmospheric boundary layer
Complex turbine wake interactions play an important role in overall energy extraction in
large wind farms. Current control strategies optimize individual turbine power, and lead to …
large wind farms. Current control strategies optimize individual turbine power, and lead to …
AFiD-GPU: a versatile Navier–Stokes solver for wall-bounded turbulent flows on GPU clusters
The AFiD code, an open source solver for the incompressible Navier–Stokes equations
(http://www. afid. eu), has been ported to GPU clusters to tackle large-scale wall-bounded …
(http://www. afid. eu), has been ported to GPU clusters to tackle large-scale wall-bounded …
A physical model of turbulence cascade via vortex reconnection sequence and avalanche
Viscous anti-parallel vortex reconnection is studied by means of direct numerical simulation
for vortex Reynolds numbers reconnection, but also shed light on the physics of turbulence …
for vortex Reynolds numbers reconnection, but also shed light on the physics of turbulence …
Towards direct numerical simulations of low-Mach number turbulent reacting and two-phase flows using immersed boundaries
A Abdelsamie, G Fru, T Oster, F Dietzsch, G Janiga… - Computers & …, 2016 - Elsevier
Most reacting and two-phase flows of practical interest are turbulent but take place at low
Mach numbers or under incompressible conditions. In order to investigate the properties of …
Mach numbers or under incompressible conditions. In order to investigate the properties of …