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AIMPRO web siteThe AIMPRO Group's web site
http://aimpro.ncl.ac.uk/
The AIMPRO Group's web site
http://aimpro.ncl.ac.uk/
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AIMPRO web site | aimpro.ncl.ac.uk Reviews
https://aimpro.ncl.ac.uk
The AIMPRO Group's web site
AIMPRO: The fundamentals
http://aimpro.ncl.ac.uk/aimpro
To determine the structure of an assembly of atoms, we need to solve the Schrödinger equation for both the ions and electrons. It is impossible to give an exact solution: progress can only be made if a set of approximations are made. The solution of this equation is the structural potential energy E. To determine dynamical quantities like vibrational frequencies and diffusion barriers, we need then to solve the classical problem of the nuclei moving in the force field. This type of wavefunction is called...
AIMPRO: Group members
http://aimpro.ncl.ac.uk/groups
There are many groups around the world where AIMPRO is used. The following is not designed to be a comprehensive list. The Materials Modelling Group, part of Emerging Materials and Technology. Electrical Engineering, Newcastle University. Theoretical and Computational Chemistry, Department of Chemistry. Atomic Cluster Calculations, Physics and Astronomy. Materials Science Division of the Dept. of Engineering Sciences and Mathematics, Lulea University of Technology. Physics of Materials and Nanostructures.
AIMPRO: group member publications
http://aimpro.ncl.ac.uk/publications
AIMPRO group member publications on other servers:. University of Newcastle upon Tyne. Luleå University of Technology, Sweden. Errors and omissions to Jon Goss. Revised: 21 September 2011 at 17:14. University of Newcastle upon Tyne, UK.
AIMPRO NEWS
http://aimpro.ncl.ac.uk/news
A new version of the code has been released: v2.1.4. This rolls out a number of enhancements including the hyperfine-tensor calculations, a convenient way to access ferromagnetic configurations, improved EELS calculations and increased functionality for restarting jobs. Revised: 10 February 2010 at 11:51. University of Newcastle upon Tyne, UK.
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Dr. Ben Hourahine - Semiconductor Spectroscopy and Devices
http://ssd.phys.strath.ac.uk/index.php/Dr._Ben_Hourahine
September 3, 2016, Saturday, 246. From Semiconductor Spectroscopy and Devices. Ben completed his BSc. (Comb. Exons) in Chemistry and Physics in 1996 at the University of Exeter. Followed by a PhD in theoretical physics at Exeter in the group of Prof. R. Jones. The topic of his thesis was Hydrogen Related Defects in Silicon. And this has been one of his on-going research interests subsequently. Hydrogen. He is a co-author and developer of the DFTB. Benjamin.hourahine-at-strath.ac.uk. GNaresh-Kumar, B....
DFT - Semiconductor Spectroscopy and Devices
http://ssd.phys.strath.ac.uk/index.php/DFT
September 3, 2016, Saturday, 246. From Semiconductor Spectroscopy and Devices. To determine the structure and properties of an assembly of atoms accurately, we need to solve the quantum mechanical Schrödinger equation of the system. It is impossible to give an exact solution for anything more complicated than a hydrogen atom, so progress can only be made if a set of approximations are made:. In these theories, the effective potential is composed of two terms: the Hartree potential (the is the electrostat...
AIMPRO.2013
http://aimpro2013.eps.surrey.ac.uk/program.html
3rd-7th June - University of Surrey, Guildford, UK. Programme for the new user workshop. Programme for the NanoTP and advanced AIMPRO sessions. The timetables can be downloaded in .xls format by clicking the links below. New users workshop timetable. Applications and advanced workshop timetable. The lecture sessions will be held in Lecture Theatre 80MS02 which is located on the second floor of the Management School Building near the main car park. The computer lab sessions will be held in the Penguin lab.
AIMPRO.2013
http://aimpro2013.eps.surrey.ac.uk/location.html
3rd-7th June - University of Surrey, Guildford, UK. The meeting will take place at the University of Surrey, Stag Hill campus in Guildford. Registration and oral sessions will be held in the Managment School building (MS on map) in lecture room 80MS02. Computer lab sessions will be held in the Penguin Lab 32BB03 (BB on map). Download campus map here. Taxis are also available at the main station entrance. From Heathrow take a rail-air link coach (approx every half hour) from termials 1, 2, 3 or 4 to Wokin...
AIMPRO.2013
http://aimpro2013.eps.surrey.ac.uk/index.html
3rd-7th June - University of Surrey, Guildford, UK. And MP0901 NanoTP WG4 meeting. The Theoretical Chemistry/Computational Materials Group is pleased to host AIMPRO .2013. It takes place 3rd 7th June 2013 at the University of Surrey, Stag Hill, Guildford, UK and comprises three separate workshops covering training, applications and developments. AIMPRO is a GTO-based density functional code ( http:/ aimpro.ncl.ac.uk. 2) an applications workshop of the theory work group of the COST MP0901 NanoTP network (...
Codes
http://aourag.univ-tlemcen.dz/index.php/en/codes
Qui est en ligne. We have 6 guests and no members online. DFT codes and web sites. List of quantum chemistry code sites. Other DFT electronic structure sites. Local orbital basis codes. Gaussian basis pseudopotential code. Numerical atom-centered basis pseudopotential code. Gaussian basis all-electron code. GPL - numerical atom-centered basis PP code (Ozaki group). All-electron (augmented methods) codes. GPL code for FP-LAPW. Plane wave and related (real space, wavelet, etc.) methods. A recently released...
Biography - Dr Chris Ewels
http://www.ewels.info/biography.html
Dr Chris Ewels biography. I have a CV available on request. There is also list of my publications. And posters on my work. Visiting Researcher at the BioNano Electronics Research Centre. Toyo University, Tokyo. Trustee for the Vega Science Trust. Committee Member of the British Carbon Group. And GDR-I Graphene Nanotubes. Co-organiser of the NanoteC. International nanocarbon conference series, and others. Member editorial advisory board of Materials Today. Oct 2005- : CNRS Senior Researcher (CR1). At the ...
Chris Ewels - PhD Thesis, July 1997
http://www.ewels.info/science/publications/thesis/index.html
Density Functional Modelling of Point Defects in Semiconductors. Chris Ewels, PhD Thesis, July 1997. Local density functional cluster method, AIMPRO. Is used to examine oxygen related point defects in silicon, and H-related complexes in III-V semiconductors, notably InP. Models are proposed for three different types of shallow thermal donor in silicon, N. Can transform into a deep state defect. Several thermal donor models are examined, and a centre consisting of a `di-y-lid'. Complex is also identified ...
CCP9 - Computational Electronic Structure of Condensed Matter
http://www.ccp9.ac.uk/codes.shtml
CCP9 - Computational Electronic Structure of Condensed Matter. CCP9 supports a series of community codes (see list below), which are developed or used in the UK. The level of support ranges between financial support for running hands-on workshops to active code development, or methodological developments. The main codes are:. STFC - Science and Technology Facilities Council.
Links - Steve Sque
http://www.stevesque.com/links
Here's a list of some websites that I find quite useful now and then:. List of fundamental physical constants. Mdash; concept-based physics resource. Mdash; scientific-information-only search engine. S very useful Versatile Unit Converter. S Semiconductors Information Website. Lecture notes on Surfaces and Thin Films. Oh, and here's a nice website all about diamond. Sites of People I Know. Bart De Vries and An Aerts. Also runs websites for the towns of Lydford. In the county of Devon, U.K.
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AIMPRO web site
Welcome to the AIMPRO web site. Revised: 12 April 2010 at 08:52. University of Newcastle upon Tyne, UK.
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AIMPRO.2013
3rd-7th June - University of Surrey, Guildford, UK. And MP0901 NanoTP WG4 meeting. The Theoretical Chemistry/Computational Materials Group is pleased to host AIMPRO .2013. It takes place 3rd 7th June 2013 at the University of Surrey, Stag Hill, Guildford, UK and comprises three separate workshops covering training, applications and developments. AIMPRO is a GTO-based density functional code ( http:/ aimpro.ncl.ac.uk. 2) an applications workshop of the theory work group of the COST MP0901 NanoTP network (...
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