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We develop a modeling and simulation framework capable of massively parallel simulation of multicellular systems with spatially resolved stochastic kinetics in individual cells. By the use of operator-splitting we decouple the simulation of…

Cell Behavior · Quantitative Biology 2018-06-29 Adrien Coulier , Andreas Hellander

Kinetic plasma simulations solve the Vlasov-Poisson or Vlasov-Maxwell equations to evolve scalar-variable distribution functions in position-velocity phase space and vector-variable electromagnetic fields in physical space. The…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-17 Andrew Ho , Genia Vogman

Coarse-grained modeling and efficient computer simulations are critical to the study of complex molecular processes with many degrees of freedom and multiple spatiotemporal scales. Variational implicit-solvent model (VISM) for biomolecular…

Chemical Physics · Physics 2022-10-26 Shuang Liu , Zirui Zhang , Li-Tien Cheng , Bo Li

Continuing improvements in computing hardware are poised to transform capabilities for in silico modeling of cross-scale phenomena underlying major open questions in evolutionary biology and artificial life, such as transitions in…

Neural and Evolutionary Computing · Computer Science 2024-06-04 Matthew Andres Moreno , Connor Yang , Emily Dolson , Luis Zaman

For decades, researchers have been applying computer simulation to address problems in biology. However, many of these "grand challenges" in computational biology, such as simulating how proteins fold, remained unsolved due to their great…

Biological Physics · Physics 2009-01-08 Stefan M. Larson , Christopher D. Snow , Michael Shirts , Vijay S. Pande

The stochastic simulation of large-scale biochemical reaction networks is of great importance for systems biology since it enables the study of inherently stochastic biological mechanisms at the whole cell scale. Stochastic Simulation…

Molecular Networks · Quantitative Biology 2017-10-30 Elias S. Manolakos , Elias Kouskoumvekakis

Edge computing offers the distinct advantage of harnessing compute capabilities on resources located at the edge of the network to run workloads of relatively weak user devices. This is achieved by offloading computationally intensive…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-03-09 Jason Kennedy , Blesson Varghese , Carlos Reaño

Modelling and computational methods have been essential in advancing quantitative science, especially in the past two decades with the availability of vast amount of complex, voluminous, and heterogeneous data. In particular, there has been…

Multiagent Systems · Computer Science 2020-07-09 Affan Shoukat , Seyed M. Moghadas

Genetic Programming (GP) is a computationally intensive technique which also has a high degree of natural parallelism. Parallel computing architectures have become commonplace especially with regards Graphics Processing Units (GPU). Hence,…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-01-05 Darren M. Chitty

The field of plasma physics heavily relies on simulations to model various phenomena, such as instabilities, turbulence, and nonlinear behaviors that would otherwise be difficult to study from a purely theoretical approach. Simulations are…

Plasma Physics · Physics 2026-02-05 Giorgio Daneri

General purpose computing on graphic processing units (GPU) is a potential method of speeding up scientific computation with low cost and high energy efficiency. We experimented with the particle physics simulation toolkit Geant4 used at…

Computational Physics · Physics 2012-09-25 Otto Seiskari , Jukka Kommeri , Tapio Niemi

The actor model of computation has been designed for a seamless support of concurrency and distribution. However, it remains unspecific about data parallel program flows, while available processing power of modern many core hardware such as…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-10-16 Raphael Hiesgen , Dominik Charousset , Thomas C. Schmidt

Artificial intelligence (AI) is increasingly deployed in real-time and energy-constrained environments, driving demand for hardware platforms that can deliver high performance and power efficiency. While central processing units (CPUs) and…

Hardware Architecture · Computer Science 2026-01-28 Aybars Yunusoglu , Talha Coskun , Hiruna Vishwamith , Murat Isik , I. Can Dikmen

In recent years, individual-based/agent-based modeling has been applied to study a wide range of applications, ranging from engineering problems to phenomena in sociology, economics and biology. Simulating such agent-based models over…

Numerical Analysis · Mathematics 2014-04-30 Ping Liu , Giovanni Samaey , C. William Gear , Ioannis G. Kevrekidis

Background The epidermal growth factor receptor (EGFR) is frequently overexpressed in many cancers, including non-small cell lung cancer (NSCLC). In silcio modeling is considered to be an increasingly promising tool to add useful insights…

Cell Behavior · Quantitative Biology 2007-06-13 Zhihui Wang , Le Zhang , Jonathan Sagotsky , Thomas S. Deisboeck

Heterogeneity in the cell population of cancer tissues poses many challenges in cancer diagnosis and treatment. Studying the heterogeneity in cell populations from gene expression measurement data in the context of cancer research is a…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-31 Anik Chaudhuri , Anwoy Mohanty , Manoranjan Satpathy

The reliability of cardiovascular computational models depends on the accurate solution of the hemodynamics, the realistic characterization of the hyperelastic and electric properties of the tissues along with the correct description of…

We introduce ABEL, the Adaptable Beginning-to-End Linac simulation framework developed for agile design studies of plasma-based accelerators and colliders. ABEL's modular architecture allows users to simulate particle acceleration across…

Accelerator Physics · Physics 2025-07-09 J. B. B. Chen , E. Adli , P. Drobniak , O. G. Finnerud , E. Hørlyk , D. Kalvik , C. A. Lindstrøm , F. Peña , K. Sjobak

Computational systems biology has provided plenty of insights into cell biology. Early on, the focus was on reaction networks between molecular species. Spatial distribution only began to be considered mostly within the last decade.…

Quantitative Methods · Quantitative Biology 2016-05-13 Atsushi Miyauchi , Kazunari Iwamoto , Satya Nanda Vel Arjunan , Koichi Takahashi

We provide an overview of Monte Carlo algorithms based on Markovian stochastic dynamics of interacting and reacting many-particle systems not in thermal equilibrium. These agent-based simulations are an effective way of introducing students…

Statistical Mechanics · Physics 2025-07-24 Mohamed Swailem , Ulrich Dobramysl , Ruslan Mukhamadiarov , Uwe C. Täuber