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If accepted, the paper will be available at http://pubs.acs.org/journals/jpcbfh/

Chemical Physics · Physics 2007-05-23 Cristian Predescu , Mihaela Predescu , Cristian V. Ciobanu

We report the development of programs for on-the-fly surface hopping dynamics simulations in the gas and condensed phases on the potential energy surfaces computed by multistate multireference perturbation theory (XMS-CASPT2) with full…

Chemical Physics · Physics 2017-07-13 Jae Woo Park , Toru Shiozaki

To improve the security and robustness of autonomous driving models, this paper presents SMET, a scenariobased metamorphic testing tool for autonomous driving models. The metamorphic relationship is divided into three dimensions (time,…

Robotics · Computer Science 2021-04-09 Haiyang Ao , Ya Pan

Here practical aspects of conducting research via computer simulations are discussed. The following issues are addressed: software engineering, object-oriented software development, programming style, macros, make files, scripts, libraries,…

Condensed Matter · Physics 2009-02-02 Alexander K. Hartmann , Heiko Rieger

Haptic training simulators generally consist of three major components, namely a human operator, a haptic interface, and a virtual environment. Appropriate dynamic modeling of each of these components can have far-reaching implications for…

There is increasing interest in flexible parametric models for the analysis of time-to-event data, yet Bayesian approaches that offer incorporation of prior knowledge remain underused. A flexible Bayesian parametric model has recently been…

This article introduces a simulation platform to study complex crowd behavior in social context. The agent-based model is extended based on the social force model, and it mainly describes how agents interact with each other, and also with…

Physics and Society · Physics 2025-01-17 Peng Wang , Xiaoda Wang , Peter Luh , Neal Olderman , Christian Wilkie , Timo Korhonen

This contribution reports on the research project SKRIBT and some of its results. An evacuation simulation based on VISSIM's pedestrian dynamics simulation was developed, that -- with high time resolution -- integrates results from studies…

Computational Physics · Physics 2014-02-10 Tobias Kretz , Georg Mayer , Andreas Muehlberger

It is often desirable to build a statistical emulator of a complex computer simulator in order to perform analysis which would otherwise be computationally infeasible. We propose methodology to model multivariate output from a computer…

Methodology · Statistics 2017-01-03 Veronica E. Bowman , David C. Woods

This article introduces a modeling framework to characterize evacuee response to environmental stimuli during emergency egress. The model is developed in consistency with stress theory, which explains how an organism reacts to environmental…

Physics and Society · Physics 2025-12-23 Peng N. Wang , Xiaoda Wang , Peter B. Luh , Christian Wilkie , Timo Korhonen , Neal Olderman

This paper presents a 2D/3D Free Surface Lattice Boltzmann Method simulation package called LBfoam for the simulation of foaming processes. The model incorporates the essential physics of foaming phenomena: gas diffusion into nucleated…

Computational Physics · Physics 2020-11-17 Mohammadmehdi Ataei , Vahid Shaayegan , Franco Costa , Sejin Han , Chul B. Park , Markus Bussmann

New model of software safety is offered. Distribution of mistakes in program on stages of life cycle is researched. Study of ways of increase of reliability of software at help simulation program is leaded.

Software Engineering · Computer Science 2008-07-02 Arkadiy Khandjian

In contrast to most scientific disciplines, sports science research has been characterized by comparatively little effort investment in the development of relevant phenomenological models. Scarcer yet is the application of said models in…

Computer Vision and Pattern Recognition · Computer Science 2013-06-21 Ognjen Arandjelovic

With the advent of the computational technologies (Graphics Processing Units - GPUs) and Machine Learning, the research domain of crowd simulation for crisis management has flourished. Along with the new techniques and methodologies that…

Multiagent Systems · Computer Science 2020-09-10 George Sidiropoulos , Chairi Kiourt , Lefteris Moussiades

Review paper on computer simulations of the dynamics of supercooled silica.

Statistical Mechanics · Physics 2007-05-23 Walter Kob , Kurt Binder

The article reviews fluid flow models implemented in the leading CFD software tools and designed for simulation of multi-component and multi-phase flows, compressible flows, flows with heat transfer, cavitation and other phenomena. The…

Fluid Dynamics · Physics 2007-05-23 Alexey N. Kochevsky

The use of numerical simulation for prediction of characteristics of chaotic dynamical systems inherently involves unpredictable processes. In this work, we develop a model for the expected error in the simulation of ergodic, chaotic ODE…

Dynamical Systems · Mathematics 2022-10-17 Cory Frontin , David Darmofal

Differences between computer simulation of dynamical systems and laboratory experiments are common in teaching and research in engineering. Normally, numerical inaccuracy and the non-ideal behaviour of the devices involved in the experiment…

Numerical Analysis · Mathematics 2016-12-14 M. L. C. Peixoto , E. G. Nepomuceno , H. M. Rodrigues , S. A. M. Martins , G. F. V. Amaral

A theoretical approach for characterising the influence of asymmetry of noise distribution on the escape rate of a multi-stable system is presented. This was carried out via the estimation of an action, which is defined as an exponential…

Mesoscale and Nanoscale Physics · Physics 2014-02-26 I. A. Khovanov , N. A. Khovanova

We present a software tool -- extended Dynamic Causal Modelling for Phase Coupling (eDCM PC) -- that is able to estimate effective connectivity between any kind of oscillating systems, e.g. distant brain regions, using the phase information…

Data Analysis, Statistics and Probability · Physics 2023-07-06 Azamat Yeldesbay , Silvia Daun