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PRODID:IEEE vTools.Events//EN
CALSCALE:GREGORIAN
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TZID:Australia/NSW
BEGIN:DAYLIGHT
DTSTART:20201004T030000
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TZOFFSETTO:+1100
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DTSTART:20200405T020000
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BEGIN:VEVENT
DTSTAMP:20201102T030649Z
UID:532A83B7-4FBF-4CAC-8B1A-78318DDEB09C
DTSTART;TZID=Australia/NSW:20200930T160000
DTEND;TZID=Australia/NSW:20200930T170000
DESCRIPTION:Over the past two decades\, owing to the robust development in 
 computational material science\, the density functional theory (DFT) based
  calculation has been emerged as an indispensable technique for modelling 
 different materials and reliably tuning their electronic structure for cat
 ering the requirements for different technical application areas. The DFT 
 simulation is typically drawing an ever growing interest from material sci
 ence\, solid state physics\, quantum chemistry and electronic device commu
 nities.\n\nTo this date\, a number of simulation packages as well as wide 
 variety of pedagogical materials are available on the topic of DFT. The av
 ailability of these resources offers the flexibility of matching individua
 l interest\, background and specific requirements. However\, at the same t
 ime\, it often becomes confusing for beginners to approach the topic in a 
 coherent manner. In this context\, the demonstration is intended for indiv
 iduals with little or no experience of DFT simulations but with a basic (u
 ndergraduate) knowledge of electronic materials. The demonstration will in
 troduce open source DFT simulation package Quantum Espresso using BURAI gr
 aphical user interphase and its basic features for successfully calculatin
 g the electronic structure of different materials. The demonstration is ex
 pected to provide primary background and familiarization on performing DFT
  based material simulation and modelling as well as successful interpretat
 ion of the results in context of specific problems.\n\nSpeaker(s): Sayan K
 anungo\, \n\nSydney\, New South Wales\, Australia\, Virtual: https://event
 s.vtools.ieee.org/m/238551
LOCATION:Sydney\, New South Wales\, Australia\, Virtual: https://events.vto
 ols.ieee.org/m/238551
ORGANIZER:sudipta.chakraborty@mq.edu.au
SEQUENCE:4
SUMMARY:EDA TOOL TRAINING SERIES PART 1 : Electronic Property Calculation o
 f Materials using Density Functional Theory (DFT) Simulation 
URL;VALUE=URI:https://events.vtools.ieee.org/m/238551
X-ALT-DESC:Description: &lt;br /&gt;&lt;p&gt;Over the past two decades\, owing to the r
 obust development in computational material science\, the density function
 al theory (DFT) based calculation has been emerged as an indispensable tec
 hnique for modelling different materials and reliably tuning their electro
 nic structure for catering the requirements for different technical applic
 ation areas. The DFT simulation is typically drawing an ever growing inter
 est from material science\, solid state physics\, quantum chemistry and el
 ectronic device communities.&lt;/p&gt;\n&lt;p&gt;To this date\, a number of simulation
  packages as well as wide variety of pedagogical materials are available o
 n the topic of DFT. The availability of these resources offers the flexibi
 lity of matching individual interest\, background and specific requirement
 s. However\, at the same time\, it often becomes confusing for beginners t
 o approach the topic in a coherent manner. &lt;strong&gt;In this context\, the d
 emonstration is intended for individuals with little or no experience of D
 FT simulations but with a basic (undergraduate) knowledge of electronic ma
 terials. The demonstration will introduce open source DFT simulation packa
 ge Quantum Espresso using BURAI graphical user interphase and its basic fe
 atures for successfully calculating the electronic structure of different 
 materials. The demonstration is expected to provide primary background and
  familiarization on performing DFT based material simulation and modelling
  as well as successful interpretation of the results in context of specifi
 c problems.&lt;/strong&gt;&lt;/p&gt;
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