Pontus Svensson
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View article: Reweighting estimator for <i>ab initio</i> path integral Monte Carlo simulations of fictitious identical particles
Reweighting estimator for <i>ab initio</i> path integral Monte Carlo simulations of fictitious identical particles Open
The fermion sign problem constitutes one of the most fundamental obstacles in quantum many-body theory. Recently, it has been suggested to circumvent the sign problem by carrying out path integral simulations with a fictitious quantum stat…
View article: Accelerated Free Energy Estimation in <i>Ab Initio</i> Path Integral Monte Carlo Simulations
Accelerated Free Energy Estimation in <i>Ab Initio</i> Path Integral Monte Carlo Simulations Open
We present a methodology for accelerating the estimation of the free energy from path integral Monte Carlo simulations by considering an intermediate artificial reference system where interactions are inexpensive to evaluate numerically. U…
View article: Taylor series perspective on ab initio path integral Monte Carlo simulations with Fermi-Dirac statistics
Taylor series perspective on ab initio path integral Monte Carlo simulations with Fermi-Dirac statistics Open
The fermion sign problem constitutes a fundamental computational bottleneck across a plethora of research fields in physics, quantum chemistry and related disciplines. Recently, it has been suggested to alleviate the sign problem in \emph{…
View article: Re-weighting estimator for ab initio path integral Monte Carlo simulations of fictitious identical particles
Re-weighting estimator for ab initio path integral Monte Carlo simulations of fictitious identical particles Open
The fermion sign problem constitutes one of the most fundamental obstacles in quantum many-body theory. Recently, it has been suggested to circumvent the sign problem by carrying out path integral simulations with a fictitious quantum stat…
View article: Accelerated free energy estimation in ab initio path integral Monte Carlo simulations
Accelerated free energy estimation in ab initio path integral Monte Carlo simulations Open
We present a methodology for accelerating the estimation of the free energy from path integral Monte Carlo simulations by considering an intermediate artificial reference system where interactions are inexpensive to evaluate numerically. U…
View article: Modeling of warm dense hydrogen via explicit real-time electron dynamics: Electron transport properties
Modeling of warm dense hydrogen via explicit real-time electron dynamics: Electron transport properties Open
We extract electron transport properties from atomistic simulations of a two-component plasma by mapping the long-wavelength behavior to a two-fluid model. The mapping procedure is performed via Markov Chain Monte Carlo sampling over multi…
View article: Ionization calculations using classical molecular dynamics
Ionization calculations using classical molecular dynamics Open
By performing an ensemble of molecular dynamics simulations, the model-dependent ionization state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimization framework based on th…
View article: Modeling of warm dense hydrogen via explicit real-time electron dynamics: Dynamic structure factors
Modeling of warm dense hydrogen via explicit real-time electron dynamics: Dynamic structure factors Open
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the ele…
View article: Toward first principles-based simulations of dense hydrogen
Toward first principles-based simulations of dense hydrogen Open
Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g., planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement …
View article: Modelling of warm dense hydrogen via explicit real time electron dynamics: Electron transport properties
Modelling of warm dense hydrogen via explicit real time electron dynamics: Electron transport properties Open
We extract electron transport properties from atomistic simulations of a two-component plasma, by mapping the long-wavelength behaviour to a two-fluid model. The mapping procedure is performed via Markov Chain Monte Carlo sampling over mul…
View article: Ionisation Calculations using Classical Molecular Dynamics
Ionisation Calculations using Classical Molecular Dynamics Open
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimisation framework based on th…
View article: A molecular dynamics framework coupled with smoothed particle hydrodynamics for quantum plasma simulations
A molecular dynamics framework coupled with smoothed particle hydrodynamics for quantum plasma simulations Open
We present a novel scheme for modelling quantum plasmas in the warm dense matter (WDM) regime via a hybrid smoothed particle hydrodynamic - molecular dynamic treatment, here referred to as 'Bohm SPH'. This treatment is founded upon Bohm's …
View article: Resonant inelastic x-ray scattering in warm-dense Fe compounds beyond the SASE FEL resolution limit
Resonant inelastic x-ray scattering in warm-dense Fe compounds beyond the SASE FEL resolution limit Open
Resonant inelastic x-ray scattering (RIXS) is a widely used spectroscopic technique, providing access to the electronic structure and dynamics of atoms, molecules, and solids. However, RIXS requires a narrow bandwidth x-ray probe to achiev…
View article: Modelling of warm dense hydrogen via explicit real time electron dynamics: Dynamic structure factors
Modelling of warm dense hydrogen via explicit real time electron dynamics: Dynamic structure factors Open
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the ele…
View article: First principles simulations of dense hydrogen
First principles simulations of dense hydrogen Open
Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g. planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement f…
View article: Bounds on heavy axions with an X-ray free electron laser
Bounds on heavy axions with an X-ray free electron laser Open
We present new exclusion bounds obtained at the European X-ray Free Electron Laser facility (EuXFEL) on axion-like particles (ALPs) in the mass range 10^{-3} eV < m_a < 10^4 eV. Our experiment exploits the Primakoff effect via which photon…
View article: Resonant inelastic x-ray scattering in warm-dense Fe compounds beyond the SASE FEL resolution limit
Resonant inelastic x-ray scattering in warm-dense Fe compounds beyond the SASE FEL resolution limit Open
Resonant inelastic x-ray scattering (RIXS) is a widely used spectroscopic technique, providing access to the electronic structure and dynamics of atoms, molecules, and solids. However, RIXS requires a narrow bandwidth x-ray probe to achiev…
View article: Development of a new quantum trajectory molecular dynamics framework
Development of a new quantum trajectory molecular dynamics framework Open
An extension to the wave packet description of quantum plasmas is presented, where the wave packet can be elongated in arbitrary directions. A generalized Ewald summation is constructed for the wave packet models accounting for long-range …
View article: Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics
Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics Open
The capability for molecular dynamics simulations to treat relativistic dynamics is extended by the inclusion of relativistic kinetic energy. In particular, relativistic corrections to the diffusion coefficient are considered for an argon …
View article: Effect of plasma elongation on current dynamics during tokamak disruptions
Effect of plasma elongation on current dynamics during tokamak disruptions Open
Plasma terminating disruptions in tokamaks may result in relativistic runaway electron beams with potentially serious consequences for future devices with large plasma currents. In this paper, we investigate the effect of plasma elongation…
View article: Effect of plasma elongation on current dynamics during tokamak\n disruptions
Effect of plasma elongation on current dynamics during tokamak\n disruptions Open
Plasma terminating disruptions in tokamaks may result in relativistic runaway\nelectron beams with potentially serious consequences for future devices with\nlarge plasma currents. In this paper we investigate the effect of plasma\nelongati…