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Techniques for simulating molecules whose conformations satisfy constraints are presented. A method for selecting appropriate moves in Monte Carlo simulations is given. The resulting moves not only obey the constraints but also maintain…

Computational Physics · Physics 2007-05-23 Charles F. F. Karney , Jason E. Ferrara

Computer simulators are nowadays widely used to understand complex physical systems in many areas such as aerospace, renewable energy, climate modeling, and manufacturing. One fundamental issue in the study of computer simulators is known…

Methodology · Statistics 2019-02-05 Feng Yang , C. Devon Lin , Pritam Ranjan

The importance of simulation at machine level in industrial environments is steadily increasing especially in the design and commissioning phase. Using models during the operation phase together with the real machine or plant is referred to…

Systems and Control · Electrical Eng. & Systems 2024-02-09 Darius Deubert , Lars Klingel , Andreas Selig

Monte Carlo simulations are widely used in many areas including particle accelerators. In this lecture, after a short introduction and reviewing of some statistical backgrounds, we will discuss methods such as direct inversion, rejection…

Computational Physics · Physics 2020-06-19 Ji Qiang

This chapter reviews the purpose and use of models from the field of complex systems and, in particular, the implications of trying to use models to understand or make decisions within complex situations, such as policy makers usually face.…

Multiagent Systems · Computer Science 2013-11-25 Bruce Edmonds , Carlos Gershenson

Transmission models for infectious diseases are typically formulated in terms of dynamics between individuals or groups with processes such as disease progression or recovery for each individual captured phenomenologically, without…

Mathematical oncology is a rapidly evolving interdisciplinary field that uses mathematical models to enhance our understanding of cancer dynamics, including tumor growth, metastasis, and treatment response. Tumor-immune interactions play a…

Quantitative Methods · Quantitative Biology 2025-11-05 Chenghang Li , Jinzhi Lei

A trend across most areas where simulation-driven development is used is the ever increasing size and complexity of the systems under consideration, pushing established methods of modeling and simulation towards their limits. This paper…

Numerical Analysis · Mathematics 2019-09-04 Gerald Schweiger , Henrik Nilsson , Josef Schoeggl , Wolfgang Birk , Alfred Posch

Urban systems are intrinsically complex, involving different dimensions and scales, and consequently various approaches and scientific disciplines. In that context, urban simulation models have been coined as essential for the construction…

Computers and Society · Computer Science 2021-05-31 Juste Raimbault

The biological immune system is a robust, complex, adaptive system that defends the body from foreign pathogens. It is able to categorize all cells (or molecules) within the body as self-cells or non-self cells. It does this with the help…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Uwe Aickelin , Dipankar Dasgupta

We briefly introduce a new promising field of applications of statistical physics, opinion dynamics, where the systems at study are social groups or communities and the atoms/spins are the individuals (or agents) belonging to such groups.…

Statistical Mechanics · Physics 2017-08-23 Santo Fortunato

Model biomembrane systems play a crucial role in advancing biomedical research by providing simplified yet effective platforms for exploring complex biological mechanisms. These systems span a wide range of scales, from…

Soft Condensed Matter · Physics 2025-10-01 Ajit Seth , Sajal K. Ghosh , Veerendra K. Sharma

The task of accurately locating fluid phase boundaries by means of computer simulation is hampered by problems associated with sampling both coexisting phases in a single simulation run. We explain the physical background to these problems…

Statistical Mechanics · Physics 2009-11-07 N. B. Wilding

The prediction of the behavior of the disease, the level of affectation in a population and the ways to control it are the most important aspects studied by epidemiology using tools such as historical data and mathematical models. So, our…

Dynamical Systems · Mathematics 2022-04-04 Jorge Andrés Ibáñez Huertas , Carlos Isaac Zainea Maya

Dynamic bonding is an essential feature of many soft materials. Molecular simulations have proven to be a powerful tool for modeling bonding kinetics and thermodynamics in these materials, providing insights into their properties that…

Soft Condensed Matter · Physics 2026-05-26 Tyla R. Holoman , B. P. Prajwal , Glen M. Hocky , Thomas M. Truskett

Cells process external and internal signals through chemical interactions. Cells that constitute the immune system (e.g., antigen presenting cell, T-cell, B-cell, mast cell) can have different functions (e.g., adaptive memory, inflammatory…

Molecular Networks · Quantitative Biology 2017-09-21 John A. P. Sekar , James R. Faeder

Training an AI/ML system on simulated data while using that system to infer on data from real detectors introduces a systematic error which is difficult to estimate and in many analyses is simply not confronted. It is crucial to minimize…

High Energy Physics - Experiment · Physics 2022-03-14 Brett Viren , Jin Huang , Yi Huang , Meifeng Lin , Yihui Ren , Kazuhiro Terao , Dmitrii Torbunov , Haiwang Yu

There is a need for a simulation framework, which is develop as a software using modern engineering approaches (e.g., modularity --i.e., model reuse--, testing, continuous development and continuous integration, automated management of…

Software Engineering · Computer Science 2024-05-06 Önder Gürcan

There is little research concerning comparisons and combination of System Dynamics Simulation (SDS) and Agent Based Simulation (ABS). ABS is a paradigm used in many levels of abstraction, including those levels covered by SDS. We believe…

Computational Engineering, Finance, and Science · Computer Science 2013-05-30 Grazziela P. Figueredo , Uwe Aickelin
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