Related papers: An Efficient Particle-Field Algorithm with Neural …
Hybrid particle-field methods are computationally efficient approaches for modelling soft matter systems. So far applications of these methodologies have been limited to constant volume conditions. Here, we reformulate particle-field…
We develop and experimentally demonstrate a methodology for a full molecular frame quantum tomography (MFQT) of dynamical polyatomic systems. We exemplify this approach through the complete characterization of an electronically…
We introduce $\texttt{A}$strophysical $\texttt{H}$ybrid-$\texttt{K}$inetic simulations with the $\texttt{flASH}$ code ($\texttt{AHKASH}$) -- a new Hybrid particle-in-cell (PIC) code developed within the framework of the multi-physics code…
In this thesis, we develop multiscale models for particle simulations in population dynamics. These models are characterised by prescribing particle motion on two spatial scales: microscopic and macroscopic. At the microscopic level, each…
Persistent homology (PH) is a powerful mathematical method to automatically extract relevant insights from images, such as those obtained by high-resolution imaging devices like electron microscopes or new-generation telescopes. However,…
Maps of brain microarchitecture are important for understanding neurological function and behavior, including alterations caused by chronic conditions such as neurodegenerative disease. Techniques such as knife-edge scanning microscopy…
Autonomous robotic systems hold potential for improving renal tumor resection accuracy and patient outcomes. We present a fluorescence-guided robotic system capable of planning and executing incision paths around exophytic renal tumors with…
Neural reconstruction models for autonomous driving simulation have made significant strides in recent years, with dynamic models becoming increasingly prevalent. However, these models are typically limited to handling in-domain objects…
Real-time simulation of elastic structures is essential in many applications, from computer-guided surgical interventions to interactive design in mechanical engineering. The Finite Element Method is often used as the numerical method of…
A systematic understanding of the evolution and growth dynamics of invasive solid tumors in response to different chemotherapy strategies is crucial for the development of individually optimized oncotherapy. Here, we develop a hybrid…
Active Brownian particles (ABPs) function as self-driving agents that display non-equilibrium behavior through their pairwise interactions which lead to phase separation and vortex patterns in both soft matter and living systems. A…
A long-standing challenge in multiple-particle-tracking is the accurate and precise 3D localization of individual particles at close proximity. One established approach for snapshot 3D imaging is point-spread-function (PSF) engineering, in…
We introduce a new representation for 3D molecules based on their continuous atomic density fields. Using this representation, we propose a new model based on walk-jump sampling for unconditional 3D molecule generation in the continuous…
Tumor growth beyond a critical size relies on the development of a functional vascular network, which ensures adequate oxygen and nutrient supply. In this work, we present a modeling framework based on an optimization-based 3D-1D coupling…
A myriad of phenomena in materials science and chemistry rely on quantum-level simulations of the electronic structure in matter. While moving to larger length and time scales has been a pressing issue for decades, such large-scale…
The field of neural quantum states has recently experienced a tremendous progress, making them a competitive tool of computational quantum many-body physics. However, their largest achievements to date mostly concern interacting spin…
The magnetohydrodynamics (MHD) equations are continuum models used in the study of a wide range of plasma physics systems, including the evolution of complex plasma dynamics in tokamak disruptions. However, efficient numerical solution…
In this paper, the high-order compact gas-kinetic scheme (CGKS) on three-dimensional hybrid unstructured mesh is further developed with the p-multigrid technique for steady-state solution acceleration. The p-multigrid strategy is a…
Photoisomerization in a system with multiple electronic states and anharmonic potential surfaces in a dissipative environment is investigated using a rigorous numerical method employing quantum hierarchical Fokker-Planck equations (QHFPE)…
The macroscopic (population-level) dynamics of chemotactic cell movement -- arising from underlying microscopic (individual-based) models -- are often described by parabolic partial differential equations (PDEs) governing the…