Avant-garde Materials Simulation

Method development

Historically, AMS is a method development provider. If you have a tricky materials science problem for which you need a software solution, we will crack it for you. Having made substantial progress in crystal structure prediction, we are ready for new challenges.

Our program GRACE for crystal structure prediction has been developed with funding from several major pharmaceutical companies. Recent developments include Force Field Factory, a module for the automated generation of tailor-made force fields, and CSP Factory, a module for automated in silico polymorph screening. If you intend to make intensive use of crystal structure prediction and would like to have a say about the direction into which the program is developed, then you may want to consider joining the GRACE initiative as a full partner. Our software development priorities are chosen in close collaboration with our partners.

GRACE logo

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