Fun lil paper. One of the most frustrating things about being a theoretical chemist is when someone asks you to calculate something which is not physically well-defined (such as a bond energy). Neural networks can help us solve these problems, by learning the same thing the person is asking for, a number to match a heuristic intuitive concept. ArXiV for details:
Just returned from New Orleans where our work was presented at the APS, next week headed out to Kobe, for the RIKEN AICS workshop talking about machine learning and then it’s back to the bay for the ACS meeting.