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Transport of excitations along proteins can be formulated in a quantum physics context, based on the periodicity and vibrational modes of the structures. Exact solutions are very challenging to obtain on classical computers, however,…
Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales, however, the utility of these simulations is often limited by our ability to directly compare them with the…
The recently upgraded DMC diffractometer at SINQ, equipped with a state-of-the-art 2D He detector, enables high-resolution neutron diffraction experiments optimized for both powder and single-crystal studies. To address the increased…
A large-scale database of two-dimensional UEDGE simulations has been developed to study detachment physics in KSTAR and to support surrogate models for control applications. Nearly 70,000 steady-state solutions were generated,…
We treat the accurate simulation of the calcination reaction in particles, where the particles are large and, thus, the inner-particle processes must be resolved. Because these processes need to be described with coupled partial…
Deep learning models in the Earth Observation domain heavily rely on the availability of large-scale accurately labeled satellite imagery. However, obtaining and labeling satellite imagery is a resource-intensive endeavor. While generative…
The imminent impact of immersive technologies in society urges for active research in real-time and interactive physics simulation for virtual worlds to be realistic. In this context, realistic means to be compliant to the laws of physics.…
Thermal Desktop (TD) is an industry-standard thermal analysis tool used to create and analyze thermal models for landers, rovers, spacecraft, and instrument payloads. Currently, limited software exists to extract and visualize metrics…
The governing mechanistic behaviour of Directed Energy Deposition Additive Manufacturing (DED-AM) is revealed by a combined in situ and operando synchrotron X-ray imaging and diffraction study of a nickel-base superalloy, IN718. Using a…
TenCirChem is an open-source Python library for simulating variational quantum algorithms for quantum computational chemistry. TenCirChem shows high performance on the simulation of unitary coupled-cluster circuits, using compact…
Quantum simulation aims to recreate complex many-body phenomena in controlled environments, offering insights into dynamics that are otherwise difficult to model. Existing platforms, however, are often complex and costly to scale, typically…
Amorphous and amorphous porous palladium are key materials for catalysis, hydrogen storage, and functional applications, but their complex structures present computational challenges. This study employs a deep neural network trained on…
Diffusion maps are an emerging data-driven technique for non-linear dimensionality reduction, which are especially useful for the analysis of coherent structures and nonlinear embeddings of dynamical systems. However, the computational…
Generative modeling of 3D LiDAR data is an emerging task with promising applications for autonomous mobile robots, such as scalable simulation, scene manipulation, and sparse-to-dense completion of LiDAR point clouds. While existing…
We introduce TorchSim, an open-source atomistic simulation engine tailored for the Machine Learned Interatomic Potential (MLIP) era. By rewriting core atomistic simulation primitives in PyTorch, TorchSim can achieve orders of magnitude…
This paper investigates the feasibility of simulating Fuzzy Dark Matter (FDM) with a reduced number of spatial dimensions. Our aim is to set up a realistic, yet numerically inexpensive, toy model in $(1+1)$-dimensional space time, that -…
Computer simulations are used widely across the engineering and science disciplines, including in the research and development of magnetic devices using computational micromagnetics. In this work, we identify and review different approaches…
Ultrafast lattice deformation of tens to hundreds of nanometer thick metallic crystals, after femtosecond laser excitation, was measured directly using 8.04 keV subpicosecond x-ray and 59 keV femtosecond electron pulses. Coherent phonons…
We present an open-source, performant, pure-python molecular dynamics (MD) suite for non-ideal plasmas. The code, Sarkas, aims to accelerate the research process by providing an MD code but also pre- and post-processing tools. Sarkas offers…
We investigate the depinning dynamics of two-dimensional dusty plasmas (2DDP) driven over one-dimensional periodic substrates (1DPS) using Langevin dynamical simulations. We find that, for a specific range of substrate strengths, as the…