Growing triple-decker hybrid crystals for lasers

By controlling the arrangement of multiple inorganic and organic layers within crystals using a novel technique, researchers at Duke University and Purdue University have shown they can control the energy levels of electrons ...

Deciphering the molecular dynamics of complex proteins

Which structures do complex proteins adopt in solution? Konstanz biophysicists answer this question using the example of ubiquitin dimers as well as a new combination of high-resolution NMR spectroscopy and sophisticated ...

Tracking species range shifts in a changing climate

As our planet undergoes significant transformations due to climate change, habitats are being altered, appearing, disappearing, or changing in quality. Understanding the impact of these changes on the geographic distributions ...

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Computer simulation

A computer simulation, a computer model or a computational model is a computer program, or network of computers, that attempts to simulate an abstract model of a particular system. Computer simulations have become a useful part of mathematical modeling of many natural systems in physics (computational physics), chemistry and biology, human systems in economics, psychology, and social science and in the process of engineering new technology, to gain insight into the operation of those systems, or to observe their behavior.

Computer simulations vary from computer programs that run a few minutes, to network-based groups of computers running for hours, to ongoing simulations that run for days. The scale of events being simulated by computer simulations has far exceeded anything possible (or perhaps even imaginable) using the traditional paper-and-pencil mathematical modeling: over 10 years ago, a desert-battle simulation, of one force invading another, involved the modeling of 66,239 tanks, trucks and other vehicles on simulated terrain around Kuwait, using multiple supercomputers in the DoD High Performance Computer Modernization Program; a 1-billion-atom model of material deformation (2002); a 2.64-million-atom model of the complex maker of protein in all organisms, a ribosome, in 2005; and the Blue Brain project at EPFL (Switzerland), began in May 2005, to create the first computer simulation of the entire human brain, right down to the molecular level.

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