Related papers: Implementation of high-precision computation capab…
We present yadism, a library for the evaluation of both polarized and unpolarized deep-inelastic scattering (DIS) structure functions and cross sections up to N$^3$LO in perturbative QCD. The package provides computations of observables in…
To harness the potential of advanced computing technologies, efficient (real time) analysis of large amounts of data is as essential as are front-line simulations. In order to optimise this process, experts need to be supported by…
A new method for implementing the kinetic energy operator for real-space, grid-based electronic structure codes is developed. It is based on multi-order Adaptive Finite Differencing (AFD) and uses atomic pseudo orbitals produced by the…
An adpative integration technique for time advancement of particle motion in the context of coupled computational fluid dynamics (CFD) - discrete element method (DEM) simulations is presented in this work. CFD-DEM models provide an accurate…
We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially…
This paper describes our experiences creating Tornado: a practical and efficient heterogeneous programming framework for managed languages. The novel aspect of Tornado is that it turns the programming of heterogeneous systems from an…
In this article, we present TornadoQSim, an open-source quantum circuit simulation framework implemented in Java. The proposed framework has been designed to be modular and easily expandable for accommodating different user-defined…
Effective quantum computation relies upon making good use of the exponential information capacity of a quantum machine. A large barrier to designing quantum algorithms for execution on real quantum machines is that, in general, it is…
Upcoming Large Scale Structure surveys aim to achieve an unprecedented level of precision in measuring galaxy clustering. However, accurately modeling these statistics may require theoretical templates that go beyond second-order…
The present paper describes the development of a novel and comprehensive computational framework to simulate solidification problems in materials processing, specifically casting processes. Heat transfer, solidification and fluid flow due…
To address the growing needs for scalable High Performance Computing (HPC) and Quantum Computing (QC) integration, we present our HPC-QC full stack framework and its hybrid workload development capability with modular…
Hybrid quantum computing systems that combine discrete-variable qubits with continuous-variable qumodes offer promising advantages for quantum simulation, error correction, and sensing applications. However, existing quantum software…
Simulation of non-adiabatic dynamics of a quantum system coupled to dissipative environments poses significant challenges. New sophisticated methods are regularly being developed with an eye towards moving to larger systems and more…
It is imperative that useful quantum computers be very difficult to simulate classically; otherwise classical computers could be used for the applications envisioned for the quantum ones. Perfect quantum computers are unarguably…
Important computational physics problems are often large-scale in nature, and it is highly desirable to have robust and high performing computational frameworks that can quickly address these problems. However, it is no trivial task to…
The common exact diagonalization-based techniques to solving tight-binding models suffer from O(N^2) and O(N^3) scaling with respect to model size in memory and CPU time, hindering their applications in large tight-binding models. On the…
This paper lays out insights and opportunities for implementing higher-precision matrix-matrix multiplication (GEMM) from (in terms of) lower-precision high-performance GEMM. The driving case study approximates double-double precision…
Accurate gravity field calculations are necessary for landing on planets, moons, asteroids, minimoons, or other irregularly shaped bodies, but current methods become increasingly inaccurate and slow near the surface. We present high…
Continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all…
This paper proposes a novel uncertainty quantification framework for computationally demanding systems characterized by a large vector of non-Gaussian uncertainties. It combines state-of-the-art techniques in advanced Monte Carlo sampling…