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SUMMARY:Electronic Structure Reading Group: The Orbital Transformation Met
 hod
DTSTART:20240527T160000
DTEND:20240527T173000
DTSTAMP:20260411T033628Z
UID:b75070482eee8b2a1ee54863e617984aa9ec7c8bd05acf52681298ed
CATEGORIES:Conferences - Seminars
DESCRIPTION:Edrick Solís González\nUPDATE(23.05.24): The room has change
 d to MA B2 485.\n\nThe orbital trasformation (OT) method1 allows an effic
 ient optimization of single-determinant wave functions. It is used in ele
 ctronic structure libraries\, such as CP2K and SIRIUS. In this talk\, I wi
 ll try to give some mathematical intuition behind this method.\n\n[1] Van
 deVondele\, Joost\, and Jürg Hutter. "An efficient orbital transformation
  method for electronic structure calculations." The Journal of chemical ph
 ysics 118.10 (2003): 4365-4369.\n\n---\n\nThe electronic structure reading
  group brings together researchers and students interested in mathematical
  aspects of electronic structure problems and adjacent topics\, including:
 \n\n	Density Functional Theory\n	Many-body Schrödinger equation for elect
 rons\n	Born-Oppenheimer Molecular Dynamics\n	Numerical analysis and error 
 control\n\nFor updates\, join the matrix chat room at #electronic-structu
 re:epfl.ch (requires a GASPAR account).\n\nWebsite: https://matmat.org/r
 eadinggroup/
LOCATION:MA B2 485 https://plan.epfl.ch/?room==MA%20B2%20485
STATUS:CONFIRMED
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