Publications related to Computational physics

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

Nicola Marzari, Giovanni Pizzi, Nicolas Frank Mounet, Martin Uhrin, Boris Kozinsky, Andrea Cepellotti, Fernando Gargiulo, Christoph Leopold Talirz, Leonid Kahle, Aliaksandr Yakutovich, Sebastiaan Philippe Huber, Andrius Merkys, Snehal Pramod Kumbhar, Conrad Johnston, Casper Welzel Andersen, Spyros Zoupanos, Elsa Passaro

The ever-growing availability of computing power and the sustained development of advanced computational methods have contributed much to recent scientific progress. These developments present new challenges driven by the sheer amount of calculations and d ...

2020

Low-Rank Tensor Approximation for Chebyshev Interpolation in Parametric Option Pricing

Daniel Kressner, Francesco Statti, Kathrin Beatrice Glau

Treating high dimensionality is one of the main challenges in the development of computational methods for solving problems arising in finance, where tasks such as pricing, calibration, and risk assessment need to be performed accurately and in real-time. ...

2020

Inverse design and demonstration of high-performance wide-angle diffractive optical elements

Toralf Scharf, Dong Cheon Kim

Diffractive optical elements are ultra-thin optical components required for constructing very compact optical 3D sensors. However, the required wide-angle diffractive 2D fan-out gratings have been elusive due to design challenges. Here, we introduce a new ...

OPTICAL SOC AMER2020

Computational Analysis of Turbulent Hemodynamics in Radiocephalic Arteriovenous Fistulas to Determine the Best Anastomotic Angles

Alfio Quarteroni, Christian Vergara

Background: Hemodynamics has been known to play a major role in the development of intimal hyperplasia leading to arteriovenous fistula failure. The goal of our study is to investigate the influence of different angles of side-to-end radiocephalic anastomo ...

ELSEVIER SCIENCE INC2020

Probabilistic Deep Learning on Spheres for Weather/Climate Applications

Wentao Feng

The climate and weather are modeled by running computer simulations. In a data-driven approach, scientists tailor the simulation to resemble reality (partly through an understanding of the physical processes, partly through their parameterization). With th ...

2020

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain**

Alan Scheidegger, Sergio Vela Llausi, Raimon Fabregat I De Aguilar-Amat

Azobenzene and its derivatives are one of the most widespread molecular scaffolds used in a range of modern applications, as well as in fundamental research. After photoexcitation, azo-based photoswitches revert back to the most stable isomer on a timescal ...

WILEY-V C H VERLAG GMBH2020

System-level, Input-output and New Parameterizations of Stabilizing Controllers, and Their Numerical Computation

Maryam Kamgarpour, Luca Furieri, Na Li

It is known that the set of internally stabilizing controller

\mathcal{C}_{\text{stab}}

is non-convex, but it admits convex characterizations using certain closed-loop maps: a classical result is the {Youla parameterization}, and two recent notions are t ...

2020

Analytic performance modeling and analysis of detailed neuron simulations

Francesco Cremonesi, Gerhard Wellein

Big science initiatives are trying to reconstruct and model the brain by attempting to simulate brain tissue at larger scales and with increasingly more biological detail than previously thought possible. The exponential growth of parallel computer perform ...

2020

On data assimilation with Monte-Carlo-calculated and statistically uncertain sensitivity coefficients

Andreas Pautz, Mathieu Hursin, Daniel Jerôme Siefman

Sensitivity coefficients from Monte Carlo neutron transport codes have uncertainties that can affect nuclear data adjustments with integral experiments. This paper presents an extended version of Generalized Linear Least Squares (GLLS), called xGLLS, that ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Unfolding the prospects of computational (bio)materials modeling

Ignacio Pagonabarraga Mora

In this perspective communication, we briefly sketch the current state of computational (bio)material research and discuss possible solutions for the four challenges that have been increasingly identified within this community: (i) the desire to develop a ...

AMER INST PHYSICS2020

Computational physics

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AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

Low-Rank Tensor Approximation for Chebyshev Interpolation in Parametric Option Pricing

Inverse design and demonstration of high-performance wide-angle diffractive optical elements

Computational Analysis of Turbulent Hemodynamics in Radiocephalic Arteriovenous Fistulas to Determine the Best Anastomotic Angles

Probabilistic Deep Learning on Spheres for Weather/Climate Applications

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain**

System-level, Input-output and New Parameterizations of Stabilizing Controllers, and Their Numerical Computation

Analytic performance modeling and analysis of detailed neuron simulations

On data assimilation with Monte-Carlo-calculated and statistically uncertain sensitivity coefficients

Unfolding the prospects of computational (bio)materials modeling

Computational Analysis of Turbulent Hemodynamics in Radiocephalic Arteriovenous Fistulas to Determine the Best Anastomotic Angles

Inverse design and demonstration of high-performance wide-angle diffractive optical elements

System-level, Input-output and New Parameterizations of Stabilizing Controllers, and Their Numerical Computation

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

Probabilistic Deep Learning on Spheres for Weather/Climate Applications

Low-Rank Tensor Approximation for Chebyshev Interpolation in Parametric Option Pricing

On data assimilation with Monte-Carlo-calculated and statistically uncertain sensitivity coefficients

Analytic performance modeling and analysis of detailed neuron simulations

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain**

Unfolding the prospects of computational (bio)materials modeling