Life Sciences
Computational chemistry is part of a disciplinary approach to predict the nature and function of new chemical compounds. By creating new molecular structures, scientists can create new products and improve existing products in a cost effective manner. This has a profound impact on the development and enhancement of products in a variety of industries including pharmaceuticals, plastics, glass, metal, paint and manufacturing process including aerospace and automobiles among others.
Computational chemistry shortens the development cycle for new drugs, and can save millions of dollars through early-stage simulations. Significant improvements in computer hardware and software allow researchers to perform highly complex analysis; predicting 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 the years. A significant characteristic of this type of work is that scientists use a variety of different applications, including commercial, in-house custom, legacy and parallel applications using OpenMP, PVM, MPI and other types of message passing architectures. As such, computational chemists require well-balanced systems that are flexible and can run different application types. Solutions based on vSMP Foundation are ideal for these environments. The shared memory architecture can run all these applications with good performance, sometime leveraging the large compute, memory, or bandwidth configurations or a combination of each.
Solutions based on vSMP Foundation provide high performance coupled with lower management costs. 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.