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SUMMARY:Combining Quantum Mechanical Response Operators and Machine Learni
 ng. - Felix Faber
DTSTART:20200217T170000Z
DTEND:20200217T173000Z
UID:TALK139660@talks.cam.ac.uk
CONTACT:Bingqing Cheng
DESCRIPTION:The role of response operators is well established in quantum 
 mechanics.\nMany relevant observables can be understood as response proper
 ties\, obtained through the use of response operators and perturbation the
 ory. Forces and dipole moments are two relatively simple examples of respo
 nse properties and correspond to the change in energy when respectively pe
 rturbing the nuclear positions or an external electric field.\nI will disc
 uss how to leverage such response operators to improve machine learning pr
 edictions of quantum mechanical properties of compounds. I will also draw 
 a connection between the electron density and energy via response operator
 s\, and propose a way to incorporate this into a machine learning model fo
 r predicting both energies and electron densities.
LOCATION:Mott Seminar (531) room\, top floor of the Mott Building\, in the
  Cavendish Laboratory\, West Cambridge.
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