Publications related to Equation of state

Excited State-Specific CASSCF Theory for the Torsion of Ethylene

State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away from molecular equilibria. However, its accuracy and practicality for chemical ...

Amer Chemical Soc2024

Linear scattering theory of short-pulse reflectometry

Stefano Coda, Stephan Brunner, Oleg Krutkin

The linear scattering theory of short pulse reflectometry is presented. An expression for the scattering signal is obtained by applying the perturbation theory approach for solving the Helmholtz equation. Based on these analytical results, a method for mea ...

2023

Scrutinizing thermally stimulated current transients originating from trapped charges in organic semiconductors: A drift-diffusion study

Beat Ruhstaller

Thermally stimulated current (TSC) is a widely used technique to assess trap states and extract their density, energy, and capture rate using analytical expressions. In many cases, the latter are derived from physical models pertaining to inorganic semicon ...

AIP Publishing2022

Physics-based estimates of drag coefficients for the impact pressure calculation of dense snow avalanches.

Christophe Ancey, Johan Alexandre Philippe Gaume, Michael Lukas Kyburz

In avalanche engineering and hazard mapping, computing impact pressures exerted by avalanches on rigid structures has long been a difficult task that requires combining empirical equations, rules of thumb, engineering judgment and experience. Until the 199 ...

2022

Acceleration of gossip algorithms through the Euler-Poisson-Darboux Equation

Raphaël Jean Berthier

Gossip algorithms and their accelerated versions have been studied exclusively in discrete time on graphs. In this work, we take a different approach and consider the scaling limit of gossip algorithms in both large graphs and large number of iterations. T ...

OXFORD UNIV PRESS2022

Explicit Stabilized Multirate Method For Stiff Stochastic Differential Equations

Assyr Abdulle, Giacomo Rosilho De Souza

Stabilized explicit methods are particularly efficient, for large systems of stiff stochastic differential equations (SDEs) due to their extended stability domain. However, they lose their efficiency when a severe stiffness is induced by very few "fast" de ...

SIAM PUBLICATIONS2022

Mathematical Foundations of Adaptive Isogeometric Analysis

Annalisa Buffa, Rafael Vazquez Hernandez

This paper reviews the state of the art and discusses recent developments in the field of adaptive isogeometric analysis, with special focus on the mathematical theory. This includes an overview of available spline technologies for the local resolution of ...

SPRINGER2022

Small Obstacle in a Large Polar Flock

Ignacio Pagonabarraga Mora

We show that arbitrarily large polar flocks are susceptible to the presence of a single small obstacle. In a wide region of parameter space, the obstacle triggers counterpropagating dense bands leading to reversals of the flow. In very large systems, these ...

AMER PHYSICAL SOC2022

MATHICSE Technical Report : Mathematical Foundations of Adaptive Isogeometric Analysis

Annalisa Buffa, Rafael Vazquez Hernandez

This paper reviews the state of the art and discusses recent developments in the field of adaptive isogeometric analysis, with special focus on the mathematical theory. This includes an overview of available spline technologies for the local resolution of ...

EPFL2021

Thermally activated flow in models of amorphous solids

Matthieu Wyart, Thomas Willem Jan de Geus, Wencheng Ji, Marko Popovic

Amorphous solids yield at a critical value Sigma(c) of the imposed stress Sigma through a dynamical phase transition. While sharp in athermal systems, the presence of thermal fluctuations leads to the rounding of the transition and thermally activated flow ...

AMER PHYSICAL SOC2021

Equation of state

Excited State-Specific CASSCF Theory for the Torsion of Ethylene

Linear scattering theory of short-pulse reflectometry

Scrutinizing thermally stimulated current transients originating from trapped charges in organic semiconductors: A drift-diffusion study

Physics-based estimates of drag coefficients for the impact pressure calculation of dense snow avalanches.

Acceleration of gossip algorithms through the Euler-Poisson-Darboux Equation

Explicit Stabilized Multirate Method For Stiff Stochastic Differential Equations

Mathematical Foundations of Adaptive Isogeometric Analysis

Small Obstacle in a Large Polar Flock

MATHICSE Technical Report : Mathematical Foundations of Adaptive Isogeometric Analysis

Thermally activated flow in models of amorphous solids

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Excited State-Specific CASSCF Theory for the Torsion of Ethylene

Physics-based estimates of drag coefficients for the impact pressure calculation of dense snow avalanches.

Linear scattering theory of short-pulse reflectometry

Acceleration of gossip algorithms through the Euler-Poisson-Darboux Equation

Explicit Stabilized Multirate Method For Stiff Stochastic Differential Equations

Mathematical Foundations of Adaptive Isogeometric Analysis

MATHICSE Technical Report : Mathematical Foundations of Adaptive Isogeometric Analysis

Thermally activated flow in models of amorphous solids