One of the most influential science studies of all time started with a modest minicomputer, some simulated boxes of water molecules, and a grand vision for computer-aided chemistry. The year was 1982.
More than a year ago, computational scientists at the Department of Energy's Oak Ridge National Laboratory published a study in the Journal of Chemical Theory and Computation that raised a serious ...
In a new study published in Nature Physics, researchers have achieved the first experimental observation of a ...
In molecular dynamics simulations of water systems, where water molecules are treated as rigid bodies, it is important to use a small time-step. This small time-step helps ensure that the average ...
A new technique allows complex interactions in materials to be simulated using Monte Carlo simulations thousands of times ...
Computer scientists at the University of California San Diego have developed a method for generating highly realistic computer-generated images of fluid dynamics in elements such as smoke. This ...
More than a year ago, computational scientists at the Department of Energy's Oak Ridge National Laboratory published a study in the Journal of Chemical Theory and Computation that raised a serious ...
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