Interesting Results from the 2018 "OpenKIM Survey On the Future of Molecular Simulation"


To gain an understanding of the needs of the molecular simulation community, and to help guide future OpenKIM development, the "OpenKIM Survey on the Future of Molecular Simulation" was conducted during Dec 20, 2017 and Jan 8, 2018.

The survey included 20 questions on various aspects of molecular modeling in materials science. A total of 449 researchers responded to the survey, which constitutes a response rate of 25%. This is considered quite high for a survey of this length, indicating support for the OpenKIM project and interest in the topic.

The results are quite interesting. For example, according to the survey, classical molecular simulations are used for qualitative understanding about 57% of the time, and to obtain quantitative results about 43% of the time.

See the full survey report at