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Deciphering cell type heterogeneity is crucial for systematically understanding tissue homeostasis and its dysregulation in diseases. Computational deconvolution is an efficient approach estimating cell type abundances from a variety of…

Other Quantitative Biology · Quantitative Biology 2023-09-06 Lana X. Garmire , Yijun Li , Qianhui Huang , Chuan Xu , Sarah Teichmann , Naftali Kaminski , Matteo Pellegrini , Quan Nguyen , Andrew E. Teschendorff

A range of percolation models of cluster systems of composites is discussed. In the models the parameters of the clusters of a substance and inner boundaries were obtained by the Monte Carlo method, and the possibility of affecting the…

Materials Science · Physics 2017-08-18 Alexander Herega

This paper is placed at the intersection-point between the study of theoretical computational models aimed at capturing the essence of genetic regulatory networks and the field of Artificial Embryology (or Computational Development). A…

Adaptation and Self-Organizing Systems · Physics 2016-10-12 Alessandro Fontana

Computational simulations are a popular method for testing hypotheses about the emergence of communication. This kind of research is performed in a variety of traditions including language evolution, developmental psychology, cognitive…

Artificial Intelligence · Computer Science 2023-03-09 Julian Zubek , Tomasz Korbak , Joanna Rączaszek-Leonardi

The cytoskeleton -- a collection of polymeric filaments, molecular motors, and crosslinkers -- is a foundational example of active matter, and in the cell assembles into organelles that guide basic biological functions. Simulation of…

Soft Condensed Matter · Physics 2022-06-13 Wen Yan , Saad Ansari , Adam Lamson , Matthew A. Glaser , Meredith Betterton , Michael J. Shelley

Recent advancements in foundational models, such as large language models and world models, have greatly enhanced the capabilities of robotics, enabling robots to autonomously perform complex tasks. However, acquiring large-scale,…

Many living and physical systems such as cell aggregates, tissues or bacterial colonies behave as unconventional systems of particles that are strongly constrained by volume exclusion and shape interactions. Understanding how these…

Quantitative Methods · Quantitative Biology 2026-05-20 Antoine Diez , Jean Feydy

Modeling the spontaneous evolution of morphology in natural systems and its preservation by proportionate growth remains a major scientific challenge. Yet, it is conceivable that if the basic mechanisms of growth and the coupled kinetic…

Soft Condensed Matter · Physics 2020-12-30 Virginia von Streng , Rami Abi-Akl , Bianca Giovanardi , Tal Cohen

Computational fluid dynamics is a direct modeling of physical laws in a discretized space. The basic physical laws include the mass, momentum and energy conservations, physically consistent transport process, and similar domain of…

Fluid Dynamics · Physics 2021-07-15 Fengxiang Zhao , Xing Ji , Wei Shyy , Kun Xu

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…

Biological Physics · Physics 2020-10-28 Yevhen K. Cherniavskyi , Arman Fathizadeh , Ron Elber , D. Peter Tieleman

Complex systems are often decomposed into modular subsystems for engineering tractability. Although various equation based white-box modeling techniques make use of such structure, learning based methods have yet to incorporate these ideas…

Machine Learning · Computer Science 2022-10-31 Jayesh K. Gupta , Sai Vemprala , Ashish Kapoor

This work aims to describe a mathematical model and a numerical method to simulate a thin anisotropic composite membrane moving and deforming in 3D space under a dynamic load of an arbitrary time and space profile. The model and the method…

Numerical Analysis · Mathematics 2020-07-24 Vitalii Aksenov , Alexey Vasyukov , Igor Petrov

Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…

Computational Physics · Physics 2020-12-25 Wujie Wang , Simon Axelrod , Rafael Gómez-Bombarelli

Theoretical studies on chemical reaction mechanisms have been crucial in organic chemistry. Traditionally, calculating the manually constructed molecular conformations of transition states for chemical reactions using quantum chemical…

Chemical Physics · Physics 2024-04-12 Sihao Yuan , Xu Han , Jun Zhang , Zhaoxin Xie , Cheng Fan , Yunlong Xiao , Yi Qin Gao , Yi Isaac Yang

In this paper, we explore osmotic transport by means of molecular dynamics (MD) simulations. We first consider osmosis through a membrane, and investigate the reflection coefficient of an imperfectly semi-permeable membrane, in the dilute…

Mesoscale and Nanoscale Physics · Physics 2017-05-18 Hiroaki Yoshida , Sophie Marbach , Lydéric Bocquet

Computer simulations of coarse-grained molecular models for amphiphilic systems can provide insight into the the structure of amphiphiles at interfaces. They can help to identify the factors that determine the phase behavior, and they can…

Soft Condensed Matter · Physics 2007-05-23 Friederike Schmid , Dominik Düchs , Olaf Lenz , Claire Loison

An important aspect of astrophysical MHD turbulence research is developing diagnostics to connect simulations with the observable universe. Turbulent systems are by definition structurally complex in all fluid variables (density, velocity,…

Astrophysics · Physics 2007-05-23 Eve C. Ostriker

Diffusion models are important in tissue engineering as they enable an understanding of molecular delivery to cells in tissue constructs. As three-dimensional (3D) tissue constructs become larger, more intricate, and more clinically…

Tissues and Organs · Quantitative Biology 2015-12-22 Richard J. McMurtrey

Living cells exhibit a complex organization comprising numerous compartments, among which are RNA- and protein-rich membraneless, liquid-like organelles known as biomolecular condensates. Energy-consuming processes regulate their formation…

We use three-dimensional numerical simulations to study self-organization in supersonic turbulence in molecular clouds. Our numerical experiments describe decaying and driven turbulent flows with an isothermal equation of state, sonic Mach…

Astrophysics of Galaxies · Physics 2014-11-20 Alexei G. Kritsuk , Sergey D. Ustyugov , Michael L. Norman , Paolo Padoan
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