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Coarse-grained modeling and efficient computer simulations are critical to the study of complex molecular processes with many degrees of freedom and multiple spatiotemporal scales. Variational implicit-solvent model (VISM) for biomolecular…
We introduce CuPyMag, an open-source, Python-based framework for large-scale micromagnetic simulations with magnetostriction. CuPyMag solves micromagnetics with finite elements in a GPU-resident workflow in which key operations, such as…
This paper introduces a new approach for simulating magnetic properties of nanocomposites comprising magnetic particles embedded in a non-magnetic matrix, taking into account the 3D structure of the system in which particles' positions…
We present a new implicit asymptotic preserving time integration scheme for charged-particle orbit computation in arbitrary electromagnetic fields. The scheme is built on the Crank-Nicolson integrator and continues to recover full-orbit…
Implicit Neural Representations (INRs) are widely used to encode data as continuous functions, enabling the visualization of large-scale multivariate scientific simulation data with reduced memory usage. However, existing INR-based methods…
In this paper, we develop an in-memory analog computing (IMAC) architecture realizing both synaptic behavior and activation functions within non-volatile memory arrays. Spin-orbit torque magnetoresistive random-access memory (SOT-MRAM)…
The Monte Carlo method is a powerful technique for computing thermodynamic magnetic states of otherwise unsolvable spin Hamiltonians, but the method becomes computationally prohibitive with increasing number of spins and the simulation of…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…
In Robotics, especially in this era of autonomous driving, mapping is one key ability of a robot to be able to navigate through an environment, localize on it and analyze its traversability. To allow for real-time execution on constrained…
With the growing computational power available for high-resolution ensemble simulations in scientific fields such as cosmology and oceanology, storage and computational demands present significant challenges. Current surrogate models fall…
A fully three-dimensional (3D) magnetohydrodynamical (MHD) model is applied to simulate the evolution of the large-scale magnetic field in cluster galaxies interacting with the intra-cluster medium (ICM). As the model input we use a time…
We present ab initio global general-relativistic Particle-in-cell (GR-PIC) simulations of compact millisecond neutron star magnetospheres in the axisymmetric aligned rotator configuration. We investigate the role of GR and plasma supply on…
In recent years, constant applied potential molecular dynamics has allowed to study the structure and dynamics of the electrochemical double-layer of a large variety of nanoscale capacitors. Nevertheless it remained impossible to simulate…
In this work, an implicit scheme for particle-in-cell/Fourier electromagnetic simulations is developed and applied to studies of Alfv\'en waves in one dimension and three-dimensional tokamak plasmas. An analytical treatment is introduced to…
Room-temperature metals and semi-metals which consist of a gas of bound electrons in a near-continuum band structure can be classified as cold quantum plasmas. This insight suggests that Particle-in-Cell (PIC) simulations, traditionally…
In this paper we use three-dimensional electromagnetic particle-in-cell simulations to investigate the interaction of a small-Larmor radius plasma cloud/jet with a transverse non-uniform magnetic field typical to a tangential discontinuity…
Furthering our understanding of many of today's interesting problems in plasma physics---including plasma based acceleration and magnetic reconnection with pair production due to quantum electrodynamic effects---requires large-scale kinetic…
Reducing energy dissipation while increasing speed in computation and memory is a long-standing challenge for spintronics research. In the last 20 years, femtosecond lasers have emerged as a tool to control the magnetization in specific…
Electron heating and mixing during asymmetric reconnection are studied with a 3D kinetic simulation that matches plasma parameters from Magnetospheric Multiscale (MMS) spacecraft observations of a magnetopause diffusion region. The mixing…
The rapid development of AI highlights the pressing need for sustainable energy, a critical global challenge for decades. Nuclear fusion, generally seen as an ultimate solution, has been the focus of intensive research for nearly a century,…