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Articles related to "Computational Chemistry"
Computational Chemistry - Electrons to Airplanes This article describes the basic types of calculations performed in the study of chemistry and briefly mentions the types of problems suitable to each. chemistry • science • computers • quantum • parallel
Guns and Ammo : Real-World Impact of Computational Chemistry
This article describes the efforts and successes of a group of computational chemists in studying the problem of erosion in rifle-barrel erosion for the U.S. Army. computational chemistry • army • research • department of defense • dod
Object-Oriented Chemistry This article describes how object-oriented programming concepts may be applied to computational codes. computational chemistry • object-oriented • java • computer science • inheritance
Chemistry in the Fast Lane This piece describes, in general terms, one of the more common applications of parallel computing techniques to chemistry simulation research. In addition, several URL's are provided which include vivid examples of the power of parallelism for computational chemists. computational • chemistry • parallel • mpi • parallelism
Using Java to Enhance Your Legacy This article describes how Java may be used to create a user interface for existing scientific code. java • gui • interface • scientific computing • simulation
A Parallel Universe This article provides an introduction to the world of parallel computing as a lead-in to applications to computational chemistry. parallel • architecture • high-performance • mpi • data models
Chemical Information Management with CML This article talks about some of the frustrations of file format manipulation in computational science and introduces a CML, a possible unifying language. cml • xml • chemical informatics • chemical information • computation
CML Today, Part 2 This article describes a molecular viewer which supports CML formatting. cml • xml • visualization • pdb • gaussian
Integrated Applications in Scientific Computing This article describes how one company, MSI, has developed a chemistry simulation package that incorporates many of the important technologies available in scientific computing today. simulation • msi • parallel • chemistry simulation • software
Reviewing Protein Folding
This article reviews simulation work done on the protein folding problem by researchers at Columbia University in New York. protein • folding • simulation • monte carlo • molecular dynamics
Computer Simulation : Meat and Potatoes of Scientific Computing This article looks at the basic premises of scientific computer simulation and discusses applications in biology and chemistry as example cases. chemistry • biology • computation • simulation • gaussian
Chemistry Discover how a degree in chemistry can lead you to career in the most innovative areas. chemistry • college • major • chemist • industry |
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