Molecular simulation is one of the most dynamic areas of scientific computing. Its field of application is very broad, ranging from theoretical chemistry and drug design to materials science and nanotechnology. Its importance in modern science has been acknowledged by two Nobel Prizes (Kohn & Pople in 1998; Karplus, Levitt & Warshel in 2013). It is also a gold mine of exciting problems for mathematicians and computer scientists.
EMC2 is an ERC Synergy project that aims to overcome some of the current limitations in the field of molecular simulation and aims to provide academic communities and industrial companies with new generation, dramatically faster and quantitatively reliable molecular simulation software. This will enable those communities to address major technological and societal challenges of the 21st century in health, energy and the environment for instance.
See the website of the project for more details: ERC synergy grant EMC2