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DTSTART:19700308T020000
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DTSTART:19701101T020000
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DTSTAMP:20210916T132448Z
LOCATION:Michel Mayor
DTSTART;TZID=Europe/Stockholm:20210705T170000
DTEND;TZID=Europe/Stockholm:20210705T173000
UID:submissions.pasc-conference.org_PASC21_sess119_msa279@linklings.com
SUMMARY:Accurate Description of Long-Range Interaction Energy via Charge E
 quilibration Process
DESCRIPTION:Minisymposium\n\nAccurate Description of Long-Range Interactio
 n Energy via Charge Equilibration Process\n\nGhasemi\n\nLong-Range electro
 static energy is an essential part of total energy on an atomic scale. The
  standard machine learning methods such as high-dimensional neural network
  potentials take into account only short-range interactions. We present an
  approach to separate long-range and short-range interactions. The accurac
 y of the method can be systematically improved. The long-range contributio
 n is obtained within the framework of the charge equilibration process and
  the short-range interaction with the standard machine learning techniques
 . The method is illustrated for magnesium oxide clusters.\n\nDomain: Chemi
 stry and Materials
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