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SUMMARY:Electronic Structure Reading Group:  Non-equilibrium Green's funct
 ions for electronic structure
DTSTART:20250716T160000
DTEND:20250716T173000
DTSTAMP:20260410T152246Z
UID:060ee3e0c6134254862ea2be9b0b1146b14e98f0c88b4f6e060e85ff
CATEGORIES:Conferences - Seminars
DESCRIPTION:Pol Febrer\nGreen's Functions are a great mathematical tool to
  solve the DFT equations in a way that is linear scaling with respect to t
 he number of atoms. At the same time\, they also open the door for solving
  situations where electrons are out of equilibrium\, through what is known
  as Non-Equilibrium Green's Functions (NEGF). For these reason\, NEGF have
  been the workhorse of ballistic electronic transport simulations for more
  than two decades. In this session I will discuss how NEGF work\, and I wi
 ll do so in a way that will annoy the mathematicians in the room: by showi
 ng more drawings than equations.\n\nReferences:\nPaper explaining the comb
 ination of DFT and NEGF to simulate electronic transport: https://journals
 .aps.org/prb/abstract/10.1103/PhysRevB.65.165401\n\n"Non-Equilibrium Green
 's Functions for Dummies"\, a great\, easy to read\, description of NEGF: 
 https://arxiv.org/abs/cond-mat/0210519\n\nPaper describing PEXSI\, a libra
 ry that uses Green's Functions to solve the Khon Sham DFT equations in a l
 inear scaling way: https://arxiv.org/abs/1606.00515\n\n\nThis event is joi
 ntly organized with the COSMO seminar.\n---\nThe electronic structure read
 ing group brings together researchers and students interested in mathemati
 cal aspects of electronic structure problems and adjacent topics\, includi
 ng:\n\n	Density Functional Theory\n	Many-body Schrödinger equation for el
 ectrons\n	Born-Oppenheimer Molecular Dynamics\n	Numerical analysis and err
 or control\n\nFor updates\, join the matrix chat room at #electronic-stru
 cture:epfl.ch (requires a GASPAR account).\n\nWebsite: https://matmat.or
 g/readinggroup/
LOCATION:MA B1 524 https://plan.epfl.ch/?room==MA%20B1%20524
STATUS:CONFIRMED
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