|
 Personal | |
| Name | Rickard Roberto Armiento |
| Phone | +46 |
| x@kth.se : with x=rar | |
| www | http://www.armiento.net/ |
| Citizenship | Swedish |
| Date of Birth | 7 Maj 1976 |
| Languages | Fluent in Swedish and English. Basic knowledge of German. |
Objective | |
| To pursue a career as an independent researcher. Currently looking for a position for 2009. | |
Research interests and experience | |
| Computational physics, density functional theory, exchange-correlation functional development, computational code development. Experience of applications relating to charge transfer in extended molecular systems (polarizability calculations) and solid state condensed matter defects. Highlighted projects: | |
| Since 2006 | Exact exchange features in a semi-local function: Incorporate "non-local" features present in exact exchange in a semi-local functional. The aim is a fully semi-local DFT scheme that resolves large errors made by regular semilocal functionals for e.g. polarizabilities of extended molecular systems like polyacetylene. |
| Since 2000 | The AM05 exchange-correlation functional / Subsystem functionals development and tests of an exchange-correlation functional based on the subsystem functional scheme. The AM05 functional combines the uniform electron gas with an Airy-gas model. The performance of AM05 for solid state applications is on par with modern hybrids. Tests on e.g. bulk solid properties and solid state defects (vacancies and interstitials.) |
| 2000 - 2003 | A local exchange expansion / the Mathieu gas model system: Study of an advanced density functional theory model system revealed that the gradient expansion of the local exchange energy density does not exist. A reformulation based on screened exact exchange was shown to be well behaved. |
Professional career | |
| 2008– | Postdoc researcher at Theoretical Physics, University of Bayreuth, Germany. |
| 2006–2007 | Alexander von Humboldt fellowship postdoc at Theoretical Physics, Univeristy of Bayreuth, Germany. |
| 2000–2005 | PhD student, Theoretical Physics at Royal Institute of Technology, Stockholm, Sweden. |
Academic Degrees | |
| 2005 | Doctor of Philosophy in Theoretical Physics at KTH, Stockholm, Sweden, 2005-10-27. Advisor: Göran Grimvall. Co-advisor: Ann Mattsson. Thesis: The Many-Electron Energy in Density Functional Theory, From Exchange-Correlation Functional Design to Applied Electronic Structure Calculations. |
| 2003 | Teknologie Licentiat in Theoretical Physics, at KTH, Stockholm, Sweden, 17 Apr. 2003. Advisor: Göran Grimvall. Co-advisor: Ann Mattsson. Thesis: Subsystem Functionals in Density Functional Theory, Towards a New Class of Exchange-Correlation Functionals. |
| 2000 | Master of Science in Engineering Physics at KTH, Stockholm, Sweden, 27 Apr. 2000. Advisor: Ann Mattsson. Thesis: Density Functional Theory for Systems with Electronic Edges. |
Awards and honours | |
| Sep 2008 | Invited keynote talk at the sixth international conference of computational methods in sciences and engineering (ICCMSE 2008), Hersonissos, Crete, Greece, 25 - 30 September 2008, Calculating the Response of Molecular Chains with Semi-Local Density Functional Theory. |
| Oct 2006 | Alexander von Humboldt postdoc fellowship, Alexander von Humboldt Foundation, Bonn, Germany. One year fellowship with a three month extension. |
Peer-reviewed publications | |
| 12. | Implementing and testing the AM05 spin density functional, A. E. Mattsson, and R. Armiento, Submitted (2008). |
| 11. | Polarizabilities of polyacetylene from a field-counteracting semi-local functional, A. Karolewski, R. Armiento, and S. Kümmel, Submitted (2008). |
| 10. | Comment on "Restoring the density gradient expansion for exchange in solids and surfaces", A. E. Mattsson, R. Armiento, and T. R. Mattsson, Phys. Rev. Lett. 101, 239701 (2008), Reprint in pdf (also note the original authors reply: Phys. Rev. Lett. 101, 239702 (2008) ) |
| 9. | Calculating the Response of Molecular Chains with Semi-Local DensityFunctional Theory, R. Armiento, Submitted invited AIP conference proceedings, ICCMSE (2008) 10pp. |
| 8. | The electrical response of molecular chains in density functional theory: ultra non-local response from a semi-local functional, R. Armiento, S. Kümmel, T. Körzdörfer, Phys. Rev. B 77, 165106 (2008), Reprint in pdf. |
| 7. | Electronic surface error in the Si interstitial formation energy, A. E. Mattsson, R. R. Wixom, R. Armiento, Phys. Rev. B 77, 155211 (2008), Reprint in pdf. |
| 6. | The AM05 density functional applied to solids, A. E. Mattsson, R. Armiento, J. Paier, G. Kresse, J. M. Wills, T. R. Mattsson, J. Chem. Phys. 128, 084714 (2008). |
| 5. | Nonequivalence of the generalized gradient approximations PBE and PW91, A. E. Mattsson, R. Armiento, P. A. Schultz, and T. R. Mattsson, Phys. Rev. B. 73, 195123 (2006), Reprint in pdf. |
| 4. | Functional designed to include surface effects in self-consistent density functional theory. R. Armiento, A. E. Mattsson, Phys. Rev. B. 72, 085108 (2005), Reprint in pdf. |
| 3. | Alternative separation of exchange and correlation in density-functional theory. R. Armiento, A. E. Mattsson, Phys. Rev. B. 68, 245120 (2003), Reprint in pdf. |
| 2. | How to Tell an Atom From an Electron Gas: A Semi-Local Index of Density Inhomogeneity, J. P. Perdew, J. Tao, and R. Armiento, Acta Physica et Chimica Debrecina 36, 25 (2003), ISSN-0567-7947, Reprint in pdf. |
| 1. | Subsystem functionals: Investigating the exchange energy per particle, R. Armiento, A. E. Mattsson, Phys. Rev. B 66 165117 (2002), Reprint in pdf. |
Other Publications | |
| 4. | The Many-Electron Energy in Density Functional Theory, From Exchange-Correlation Functional Design to Applied Electronic Structure Calculations, R. Armiento, Thesis for the degree of Doctor of Philosophy in Theoretical Physics, ISBN: 91-7178-150-1, Electronic copy in acrobat pdf. |
| 3. | Numerical integration of functions originating from quantum mechanics, Technical report (2003) (published as part of the attached publications to the PhD thesis) 17pp., reprint in pdf. |
| 2. | Subsystem Functionals in Density Functional Theory, Towards a New Class of Exchange-Correlation Functionals, Thesis for the degree of Teknologie licentiat, ISBN: 91-7283-416-1, Electronic copy in pdf (excluding the included paper, PRB 66 165117 (2002)). |
| 1. | Density Functional Theory for Systems with Electronic Edges, Graduation thesis for the degree of Master of Science from the School of Engineering Physics, Royal Institute of Technology, ISBN: 91-7170-528-4, Electronic copy in acrobat pdf, with an important errata in pdf. |
Research collaboration | |
| 2006 – | Since October 2006 a Postdoc researcher at the group of Stephan Kümmel at University of Bayreuth. |
| 2000 – 2005 | Have continuously cooperated with Ann Mattsson, who 1999-2001 was assistant professor at KTH, Stockholm, Sweden, and since 2001 is working at Sandia National Laboratories in Albuquerque, USA. Several visits to Sandia have been arranged as a part of this collaboration. So far the work has resulted in four published papers, and one more currently being finalized. |
| 2005 | A week long visit to the research group of Claudia Ambrosch-Draxl in Graz, Austria. During my stay I implemented the AM05 functional in the exciting fp-lapw DFT code. |
| 2002 | A month long visit to the research group of John Perdew in New Orleans, USA. The collaboration resulted in a published paper. |
| 2000 - 2005 | I have presented talks and posters at eight research meetings and conferences. |
Teaching experience | |
| 2000 - 2005 | As part of the PhD: Led tutorials in two dierent introductory courses on thermodynamics, and a course in statistical mechanics. Led undergraduate laboratory experiments in thermodynamics. Assisted computer exercises in environmental physics. Assisted with homework problems and exam problems in mathematical physics. |
Professional services | |
| Since 2005 | Referee for Phys. Rev. B and Phys. Rev. Lett. |
Conferences and meetings | |
| Sep 2008 | The Sixth International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2008), Hersonissos, Crete, Greece,25-30 September 2008. Presented an invited keynote talk titled: Calculating the Response of Molecular Chains with Semi-Local Density Functional Theory. |
| Dec 2007 | The Gentner-Minerva Symposium on: Time-Dependent Density Functional Theory, Eilat, Israel. Presented a poster titled: Ultra non-local response from a semi-local functional. |
| Mar 2005 | The APS march meeting in Los Angeles, USA. Presented a talk titled: Building improved functionals for self-consistent DFT by better treatment of electronic surface regions. |
| May 2004 | The 16th Annual Workshop on Recent Developments in Electronic Structure Methods, Rutgers, New Brunswick, NJ, USA. Presented a poster titled: Recent developments in subsystem functionals (solving the subsystem functional puzzle). |
| Mar 2003 | The APS march meeting in Austin, USA. Presented a talk titled: Subsystem functionals in density functional theory. |
| Aug 2002 | The workshop 'Exchange Correlation Functionals in Density Functional Theory' organized by Sandia National Laboratories, Albuquerque, New Mexico, USA. |
| Feb 2002 | The ATOMICS meeting in Uppsala, Sweden. Presented a talk titled: Subsystem functionals: a viable way of extending DFT to even more complicated systems. |
| Mar 2001 | The APS march meeting in Seattle, USA. Presented a talk titled: Investigation of the Inverse Radius of the Exchange Hole (a Local Exchange Energy Density) for Two Simple Systems. |
| Feb 2001 | The conference Applied Density Functional Theory in Vienna, Austria. Presented a talk titled: Investigation of the Inverse Radius of the Exchange Hole (a Local Exchange Energy Density) for Two Simple Systems. |
| Okt 2000 | An NWChem/ECCE workshop at PDC in Stockholm, Sweden. |
| Jun 2000 | Density Functional Theory and its Applications to Materials in Antwerp, Beligum. |
Computer Experience | |
| Computer languages | Widely knowledgeable in serial and parallel (MPI) programming. Experienced with most popular programming languages, eg., C, C++, Fortran77/ 90, Java, Pascal/Delphi, and Scheme; script languages: Perl, Python, PHP, Javascript, Bash/Sh, Csh, Sed, and Awk; and mathematical languages: Mathematica, Maple, and Matlab. Also experienced with markup languages (LaTeX, HTML, XML), and database programming (SQL). |
| System Administration |
Experienced with system administration. During five years as a PhD student part time (20%) network and system administrator for the groups Theory of Materials, Theoretical Biophysics and Mathematical Physics, at the Department of
Physics, KTH. Responsible for about 25 computers and 50 users; spread among many different architectures; Linux, Windows, Macintosh, Sun Solaris, Digital Unix/Tru64, HP-UX, in several different versions. In depth experience with AFS and kerberos. Created a five computer MPI-parallell computational cluster at University of Bayreuth in 2008. |
| 2000-2004 | Responsible for maintaining the mail list and the web pages for the PhD organization at KTH. Attended occasional committee meetings to provide advice in technical questions. |
| 1995-1999 | Member, and during 1997 chairman, of a student organization taking care of the computers available to students of Engineering Physics at KTH (DaSK). |
Business experience | |
| 2006 | Created together with two friends a website where independent musicians can sell downloadable music files. |
| 1999 | Together with a friend produced and sold a computer software for damage regulation to Telia, a major swedish telephone company. |
| Summerjob 1995-1997 | Worked in total 21 weeks for the Computer Consulting Firm "Pineapple Databaser", which during this time changed its name to "Soft Applications". Involved in work on business server and application software. |
References | |
| Available on request. | |
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