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The Active Flux scheme is a Finite Volume scheme with additional point values distributed along the cell boundary. It is third order accurate and does not require a Riemann solver: the continuous reconstruction serves as initial data for…
We report an implementation of the lattice Boltzmann method (LBM) to integrate the Bloch-Torrey equation, which describes the evolution of the transverse magnetization vector and the fate of the signal of diffusion magnetic resonance…
Time-dependent diffusion MRI (dMRI) with single diffusion encoding (SDE) probes water dynamics in biological tissues, but signal interpretation depends on microstructure. While prior work focused on restricted/hindered diffusion and…
Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…
Diffusion models have been successful on a range of conditional generation tasks including molecular design and text-to-image generation. However, these achievements have primarily depended on task-specific conditional training or…
Mathematical models describing the spatial spreading and invasion of populations of biological cells are often developed in a continuum modelling framework using reaction-diffusion equations. While continuum models based on linear diffusion…
Quantitative assessment of treatment response in Advanced Prostate Cancer (APC) with bone metastases remains an unmet clinical need. Whole-Body Diffusion-Weighted MRI (WB-DWI) provides two response biomarkers: Total Diffusion Volume (TDV)…
The translational-diffusion coefficient $D_T$ and the spin-rotation contribution to the $^1$H NMR relaxation time $T_{1J}$ for methane (CH$_4$) are investigated using MD (molecular dynamics) simulations, over a wide range of densities…
Accurate dose distribution prediction is crucial in the radiotherapy planning. Although previous methods based on convolutional neural network have shown promising performance, they have the problem of over-smoothing, leading to prediction…
A distinct feature of pancreatic ductal adenocarcinoma (PDAC) is a prominent tumor microenvironment (TME) with remarkable cellular and spatial heterogeneity that meaningfully impacts disease biology and treatment resistance. The dynamic…
We prove the existence of diffusing solutions in the motion of a charged particle in the presence of an ABC magnetic field. The equations of motion are modeled by a 3DOF Hamiltonian system depending on two parameters. For small values of…
Dynamical Sauter-Schwinger mechanism of electron-positron pair creation by a time-dependent electric field pulses is considered using the $S$-matrix approach and reduction formulas. They lead to the development of framework based on the…
Radiotherapy treatment planning often relies on time-consuming, trial-and-error adjustments that heavily depend on the expertise of specialists, while existing deep learning methods face limitations in generalization, prediction accuracy,…
Computational determination of the equilibrium state of heterogeneous phospholipid mem-branes is a significant challenge. We wish to explore the rich phase diagram of these multi-component systems. However, the diffusion and mixing times in…
We propose ReMiDi, a novel method for inferring neuronal microstructure as arbitrary 3D meshes using a differentiable diffusion Magnetic Resonance Imaging (dMRI) simulator. We first implemented in PyTorch a differentiable dMRI simulator…
Most numerical investigations on the role of magnetic fields in turbulent molecular clouds (MCs) are based on ideal magneto-hydrodynamics (MHD). However, MCs are weakly ionized, so that the time scale required for the magnetic field to…
An extension of the product operator formalism of NMR is introduced, which uses the Hadamard matrix product to describe many simple spin 1/2 relaxation processes. The utility of this formalism is illustrated by deriving NMR…
There is a need to accurately simulate materials with complex electromagnetic properties when modelling Ground Penetrating Radar (GPR), as many objects encountered with GPR contain water, e.g. soils, curing concrete, and water-filled pipes.…
The diffusive transport of particles in anisotropic media is a fundamental phenomenon in computational, medical and biological disciplines. While deterministic models (partial differential equations) of such processes are well established,…
Pulsed-gradient spin-echo (PGSE) MRI experiments probe molecular self-diffusion through spin phase accumulation under time-dependent magnetic field gradients. For diffusion confined to cylindrical surfaces, existing analytical signal models…