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Simulations with high accuracy are an essential part of scientific research to accelerate the innovation process. They are especially useful for finding novel approaches or optimizing existing methods. Today, powerful software tools are…

Medical Physics · Physics 2022-08-31 Patrick Vogel , Martin A. Rückert , Thomas Kampf , Volker C. Behr

Simulation models are an absolute necessity in the human and social sciences, which can only very exceptionally use experimental science methods to construct their knowledge. Models enable the simulation of social processes by replacing the…

Computers and Society · Computer Science 2020-01-06 J. Raimbault , D. Pumain

In bacterial populations, cells are able to cooperate in order to yield complex collective functionalities. Interest in population-level cellular behaviour is increasing, due to both our expanding knowledge of the underlying biological…

Multiagent Systems · Computer Science 2012-11-07 Angel Goni-Moreno , Martyn Amos

We introduce neural lithography to address the 'design-to-manufacturing' gap in computational optics. Computational optics with large design degrees of freedom enable advanced functionalities and performance beyond traditional optics.…

Optics · Physics 2023-10-02 Cheng Zheng , Guangyuan Zhao , Peter T. C. So

Conservative and non-conservative phase-field models are considered for the numerical simulation of lateral phase separation and coarsening in biological membranes. An unfitted finite element method is devised for these models to allow for…

Numerical Analysis · Mathematics 2019-01-08 Vladimir Yushutin , Annalisa Quaini , Sheereen Majd , Maxim Olshanskii

The use of graphics processing units for scientific computations is an emerging strategy that can significantly speed up various different algorithms. In this review, we discuss advances made in the field of computational physics, focusing…

Computational Physics · Physics 2013-03-07 Ari Harju , Topi Siro , Filippo Federici-Canova , Samuli Hakala , Teemu Rantalaiho

Here we introduce a new design framework for synthetic biology that exploits the advantages of Bayesian model selection. We will argue that the difference between inference and design is that in the former we try to reconstruct the system…

Molecular Networks · Quantitative Biology 2015-05-27 Chris Barnes , Daniel Silk , Xia Sheng , Michael P. H. Stumpf

Single-molecule experiments are a unique tool to characterize the structural dynamics of biomolecules. However, reconstructing molecular details from noisy single-molecule data is challenging. Simulation-based inference (SBI) integrates…

Chemical Physics · Physics 2024-10-22 Lars Dingeldein , Pilar Cossio , Roberto Covino

In this work, we simulate the behavior of photons in a laboratory experiment using a quantum computer and examine how the simulation results compare with the theoretical predictions. The experiment involves both protective and…

Quantum Physics · Physics 2025-08-13 Priyasheel Prasad , Marco Russo , Bartolomeo Montrucchio

The identification of the interfacial molecules in fluid-fluid equilibrium is a long-standing problem in the area of simulation. We here propose a new point of view, making use of concepts taken from the field of computational geometry,…

Soft Condensed Matter · Physics 2009-04-30 Florencio Balboa Usabiaga , Daniel Duque

Clinical diffusion imaging requires short acquisition times and good image quality to permit its use in various medical applications. In turn, these demands require the development of a robust and efficient post-processing framework in…

Medical Physics · Physics 2015-02-18 Ivan I. Maximov , Farida Grinberg , Irene Neuner , N. Jon Shah

Reaction systems are a computational model inspired by the bio-chemical reactions that happen inside biological cells. They have been and currently are studied for their many nice theoretical properties. They are also a useful modeling tool…

Formal Languages and Automata Theory · Computer Science 2020-08-05 Claudio Ferretti , Alberto Leporati , Luca Manzoni , Antonio E. Porreca

We present a detailed physiological model of the retina that includes the biochemistry and electrophysiology of phototransduction, neuronal electrical coupling, and the spherical geometry of the eye. The model is a parabolic-elliptic system…

Quantitative Methods · Quantitative Biology 2023-03-09 Belal Abuelnasr , Adam R. Stinchcombe

In the context of computer models, calibration is the process of estimating unknown simulator parameters from observational data. Calibration is variously referred to as model fitting, parameter estimation/inference, an inverse problem, and…

Methodology · Statistics 2023-10-16 Richard D. Wilkinson , Christopher W. Lanyon

Since the turn of the millennium, computational modelling of biological systems has evolved remarkably and sees matured use spanning basic and clinical research. While the topic of the peri-millennial debate about the virtues and…

Quantitative Methods · Quantitative Biology 2025-08-05 Axel Loewe , Peter J. Hunter , Peter Kohl

The search for new, application-specific quantum computers designed to outperform any classical computer is driven by the ending of Moore's law and the quantum advantages potentially obtainable. Photonic networks are promising examples,…

Quantum Physics · Physics 2018-04-13 B. Opanchuk , L. Rosales-Zárate , M. D. Reid , P. D. Drummond

Biomolecular condensates constitute a newly recognized form of spatial organization in living cells. Although many condensates are believed to form as a result of phase separation, the physicochemical properties that determine the phase…

Biological Physics · Physics 2023-07-11 William M. Jacobs

Experimental approaches have been applied to address questions in understanding three-dimensional chromatin organisation and function. As datasets increase in size and complexity, it becomes a challenge to reach a mechanistic interpretation…

Biological Physics · Physics 2020-10-14 Chris A. Brackley , Davide Marenduzzo , Nick Gilbert

Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several conditions -- for example, with various mutations or bound…

Biomolecules · Quantitative Biology 2025-01-07 Martin Vögele , Neil J. Thomson , Sang T. Truong , Jasper McAvity , Ulrich Zachariae , Ron O. Dror