1603015.pdf (Verlagsversion), 2MB
Chmiela, S., Tkatchenko, A., Sauceda, H. E., Poltavsky, I., Schütt, K. T., & Müller, K.-R. (2017). Machine learning of accurate energy-conserving molecular force fields. Science Advances, 3(5): e1603015. doi:10.1126/sciadv.1603015.