Life-Sciences

Computational chemistry assists with prediction of the nature and function of new chemical compounds, enabling the creation of new products and improvement on existing products, in a cost effective manner in a variety of industries such as pharmaceuticals, plastics, glass, metal, paint, aerospace and automobiles.

Computational chemistry also shortens the development cycle for new drugs, where millions of dollars can be saved from early-stage simulations. Significant improvement in hardware and software allows researchers to perform complex analysis, predict the properties of new chemical compounds and materials before any laboratory effort.

Computational structural and chemical analysis is not new and many applications have been developed over time. A significant characteristic of computational chemistry is that scientists use a variety of applications, including commercial codes, in-house developed applications, legacy applications and parallel applications using OpenMP, PVM, MPI and other flavors. As such, computational chemists require well-balanced systems that are flexible and can run multiple application types. Solutions based on vSMP Foundation are ideal for these applications. The shared memory architecture can run all these applications with good performance, sometime leveraging the compute or memory capacity or bandwidth, or a combination thereof. Solutions based on vSMP Foundation provide high performance coupled with reduced management cost. They are particularly well suited in environments where computational chemists do not have dedicated IT staff, or need to publish results fast for new innovative applications they develop.