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Spectroscopy is one of the most accurate probes of the molecular world. However, predicting molecular spectra accurately is computationally difficult because of the presence of entanglement between electronic and nuclear degrees of freedom.…

The tool voxlogica merges the state-of-the-art library of computational imaging algorithms ITK with the combination of declarative specification and optimised execution provided by spatial logic model checking. The analysis of an existing…

Topological orders can be used as media for topological quantum computing --- a promising quantum computation model due to its invulnerability against local errors. Conversely, a quantum simulator, often regarded as a quantum computing…

In this contribution, I give an overview of the various approaches toward the numerical modelling of turbulence, particularly, in the interstellar medium. The discussion is placed in a physical context, i. e. computational problems are…

Cancer is a complex disease that provides various types of information depending on the scale of observation. While most tumor diagnostics are performed by observing histopathological slides, radiology images should yield additional…

I present a review of the theoretical and computational methodologies that have been used to model the assembly of viral capsids. I discuss the capabilities and limitations of approaches ranging from equilibrium continuum theories to…

We study the numerical simulation of supersymmetric models having a local Nicolai map. The mapping can be regarded as a stochastic equation and its numerical integration provides an algorithm for the simulation of the original model. In…

In this work, we present a mathematical model of the initiation and progression of a low-grade urinary bladder carcinoma. We simulate the crucial processes involved in tumor growth, such as oxygen diffusion, carcinogen penetration, and…

A new type of quantum simulator is proposed which can simulate any quantum many-body system in an isomorphic manner. It can actually synthesize a duplicate of the system to be simulated. The isomorphic simulation has the great advantage…

Since decades, many techniques have been developed for curing cancer. Here, an effort has been made to cure tumor by inserting a cryoprobe into the target region which is connected to a cryogenic mechanism. This technique is presently used…

This paper introduces a method for estimating the shape and location of an embedded tumor. The approach utilizes shape optimization techniques, applying the coupled complex boundary method. By rewriting the problem -- characterized by a…

Breast cancer investigation is of great significance, and developing tumor detection methodologies is a critical need. However, it is a challenging task for breast ultrasound due to the complicated breast structure and poor quality of the…

Simulations of nuclear magnetic resonance (NMR) experiments can be an important tool for extracting information about molecular structure and optimizing experimental protocols but are often intractable on classical computers for large…

We deal with a small enough tumor section to consider it homogeneous, such that populations of lymphocytes and cancer cells are independent of spatial coordinates. A stochastic model based in one step processes is developed to take into…

Tumor invasion, the process by which tumor cells break away from their primary tumor and gain access to vascular systems, is an important step in cancer metastasis. Most current 3D tumor invasion assays consisted of single tumor cells…

This paper describes a simulator of ultrasound-guided prostate biopsies for cancer diagnosis. When performing biopsy series, the clinician has to move the ultrasound probe and to mentally integrate the real-time bi-dimensional images into a…

In this paper we study the growth of a tumor colony of multilayer type and focus on how the tumor grows from a near flat (when compared to the length of the tumor as, for instance, in the case of a bone tumor in a femur) initial colony. In…

In this work, we introduce a novel computational framework that we developed to use numerical simulations to investigate the complexity of brain tissue at a microscopic level with a detail never realised before. Directly inspired by the…

Spatial agent-based models are increasingly used to investigate the evolution of solid tumours subject to localised cell-cell interactions and microenvironmental heterogeneity. Here we present a non-technical step by step guide to…

Neural simulation-based inference (SBI) is a popular set of methods for Bayesian inference when models are only available in the form of a simulator. These methods are widely used in the sciences and engineering, where writing down a…