Scalable molecular dynamics with NAMD

JC Phillips, R Braun, W Wang… - Journal of …, 2005 - Wiley Online Library
NAMD is a parallel molecular dynamics code designed for high‐performance simulation of
large biomolecular systems. NAMD scales to hundreds of processors on high‐end parallel …

Agent-based computational epidemiological modeling

KR Bissett, J Cadena, M Khan, CJ Kuhlman - Journal of the Indian Institute …, 2021 - Springer
The study of epidemics is useful for not only understanding outbreaks and trying to limit their
adverse effects, but also because epidemics are related to social phenomena such as …

Graphical dynamical systems and their applications to bio-social systems

A Adiga, CJ Kuhlman, MV Marathe, HS Mortveit… - International Journal of …, 2019 - Springer
In this review paper, we discuss graphical dynamical systems (GDSs) and their applications
to biological and social systems (bio-social systems). Traditionally, differential equation …

Blocking simple and complex contagion by edge removal

CJ Kuhlman, G Tuli, S Swarup… - 2013 IEEE 13th …, 2013 - ieeexplore.ieee.org
Eliminating interactions among individuals is an important means of blocking contagion
spread, eg, closing schools during an epidemic or shutting down electronic communication …

[图书][B] Parallel science and engineering applications: The Charm++ approach

LV Kale, A Bhatele - 2016 - books.google.com
This book highlights the use of Charm++ in a wide variety of scientific and engineering
fields. It emphasizes the adaptivity, asynchrony, and message-driven execution of Charm++ …

Fundamental limitations on efficiently forecasting certain epidemic measures in network models

DJ Rosenkrantz, A Vullikanti, SS Ravi… - Proceedings of the …, 2022 - National Acad Sciences
The ongoing COVID-19 pandemic underscores the importance of developing reliable
forecasts that would allow decision makers to devise appropriate response strategies …

Agent-based computational models–a formal heuristic for institutionalist pattern modelling?

C Gräbner - Journal of Institutional Economics, 2016 - cambridge.org
I investigate the consistency of agent-based computational models with the institutionalist
research program as outlined by Myrdal, Wilber and Harrison, Hodgson and others. In …

Csonnet: An agent-based modeling software system for discrete time simulation

JD Priest, A Kishore, L Machi… - 2021 Winter …, 2021 - ieeexplore.ieee.org
Contagion dynamics on networks are used to study many problems, including disease and
virus epidemics, incarceration, obesity, protests and rebellions, needle sharing in drug use …

Finding critical nodes for inhibiting diffusion of complex contagions in social networks

CJ Kuhlman, VS Anil Kumar, MV Marathe… - Machine Learning and …, 2010 - Springer
We study the problem of inhibiting diffusion of complex contagions such as rumors,
undesirable fads and mob behavior in social networks by removing a small number of nodes …

Agent-based modeling, Mathematical formalism for

R Laubenbacher, AS Jarrah, HS Mortveit… - Complex Social and …, 2020 - Springer
The building blocks of these systems consist of a collection of variables (mapping to agents),
a graph that captures the dependence relations of agents on other agents, a local update …