|
 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. |
Objective | |
| To pursue a career as a scientist with a research position at a leading university within my field. | |
Professional career | |
| 2009–2011 | Postdoc researcher at Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA. |
| 2008–2009 | 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, 27 Oct, 2005. 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. |
Research interests and experience | |
|
Computational physics and materials science, density functional theory, exchange-correlation functional development, computational code development, high-throughput computational methods. Applications relating to energy (piezoelec perovskite materials, photovoltaic solar energy materials), charge transfer in extended molecular systems (polarizability calculations) and solid state condensed matter defects. Some highlighted projects: | |
| 2009 – | High-throughput search for lead-free piezoelectric materials: High throughput screening of materials to identify compositions with a phase transition in the temperature-composition diagram, which is the crucial feature for modern leadbased materials with very high piezoelectric performance. |
| 2006 – | Exact exchange features in a semi-local functional: Incorporate "non-local" features/"self-interaction correction" 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 semi-local functionals for applications involving highly localized states as well as e.g. polarizabilities of extended molecular systems like polyacetylene. |
| 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. Tests on e.g. bulk solid properties and solid state defects (vacancies and interstitials.) |
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, and a three month extension. |
Peer-reviewed publications | |
| For an updated and complete publication list, please refer to my ResearchID page. Current h-index: 8, Average citations per article: 13.6. | |
| 19. | Screening for high-performance piezoelectrics using high-throughput density functional theory, R. Armiento, B. Kozinsky, M. Fornari, G. Ceder, Phys. Rev. B 84, 014103 (2011). |
| 18. | Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds, V. L. Chevrier, S. P. Ong, R. Armiento, M. K. Y. Chan, and G. Ceder, Phys. Rev. B 82, 075122 (2010). |
| 17. | Strategies for h-Adaptive Refinement for a Finite Element Treatment of Harmonic Oscillator Schrodinger Eigenproblem, T. D. Young, R. Armiento, Communications in Theoretical Physics 53, 1017 (2010). |
| 16. | Subsystem functionals and the missing ingredient of confinement physics in density functionals, F. Hao, R. Armiento, A. E. Mattsson, Phys. Rev. B 82, 115103 (2010). |
| 15. | The Subsystem Functional Scheme: The Armiento-Mattsson 2005 (AM05) Functional and Beyond, A. E. Mattsson, R. Armiento, Int. J. of Quant. Chem. 110, 2274 (2010). |
| 14. | Calculating the Response of Molecular Chains with Semi-Local Density Functional Theory, AIP Conf. Proc., 1108, 98 (2009) 10pp. |
| 13. | Examining the role of pseudopotentials in exact-exchange-based Kohn-Sham gaps, Phys. Rev. B 80, 161204(R) (2009). |
| 12. | Implementing and testing the AM05 spin density functional, A. E. Mattsson, and R. Armiento, Phys. Rev. B 79, 155101 (2009). |
| 11. | Polarizabilities of polyacetylene from a field-counteracting semi-local functional, A. Karolewski, R. Armiento, and S. Kümmel, J. Chem. Theory and Comput., 5 (4), 712 (2009). |
| 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. |
Collaborations | |
| 2009 – | Prof. Gerbrand Ceder, Massachusetts Institute of Technology, Cambridge, MA, USA. Prof. Ceder is a highly recognized researcher in energy materials resarch and known as a pioneer in high-throughput computational materials design. |
| 2006 – 2009 | Prof. Stephan Kümmel, University of Bayreuth, Germany. Prof. Kümmel is well recognized in the field of DFT development for exact exchange (OEP) and time dependent density functional theory. |
| 2002 | Prof. John Perdew, Tulane University, New Orleans, Louisiana, USA. Prof. Perdew is internationally known as one of the foremost experts in the field of density functional theory. |
| 2000 - 2011 | I have presented talks and posters at ten research meetings and conferences. |
Teaching experience | |
| 2011 | Scheduled to teach a course on statistical mechanics at Massachusetts Institute of Technology. | 2010, 2011 | Teaching assistant on the course 3.320 Atomistic Computer Modeling of Materials at Massachusetts Institute of Technology. | 2000 – 2005 | As part of the PhD at Royal Institute of Technology, Stockholm, Sweden: Led tutorials in two different introductory courses on thermodynamics, and a course in statistical mechanics. Led undergraduate laboratory experiments in thermodynamics. Assisted computer exercises in environmental physics. Assisted construction of exam and homework problems in mathematical physics. |
Professional services | |
| 2010 | Session Chair at the American Physics Society March Meeting. |
| Since 2005 | Referee for Phys. Rev. Letters, Phys. Rev. B., and Computational Materials Science. |
Conferences and meetings | |
| Mar 2011 | The APS march meeting in Dallas, Texas, USA. Presented a talk titled: High-Throughput Density Functional Theory Categorization of Ferroelectric Ternary Perovskite Oxides for Use as High-Performance Piezoelectrics. |
| Mar 2010 | The APS march meeting in Portland, Oregon, USA. Presented a talk titled: Hybrid Density Functional Calculations of Redox Potentials of Transition Metal Compounds. |
| 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 | |
| Programming | Knowledgeable in serial and parallel (MPI) programming over a wide range of programming languages (e.g., Fortran90/77, C, C++, Python). Experienced with several mathematical tools and environments (e.g., Mathematica, Maple, Matlab). Extensive experience of unix scripting (e.g., bash, csh, sed, awk). Database programming (SQL). |
| Visualization | Familiar with scientific visualization using many dierent tools, e.g., Vesta, OpenDX, Python/Pylab/Matplotlib, VTK, Matlab, Mathematica. |
| Code contributions | Contributed a conversion program for pseudopotentials now distributed along with the Socorro plane-wave DFT code, developed at Sandia National Laboratories, http://dft.sandia.gov/Socorro/mainpage.html. Listed as a contributor to the EXCITING full-potential linearised augmented-planewave DFT computer code, http://exciting.sourceforge.net/ for implementing the AM05 functional. |
| System Administration | Experienced with system administration. During the PhD (2000 – 2005): Part time (20%) network and system administrator for the groups Theory of Materials, Theoretical Biophysics and Mathematical Physics, at the Department of Physics, KTH. In 2008: Set up a small MPI-parallel computational cluster at University of Bayreuth. Familiar with all major operating systems (e.g. Unix/Linux, Windows, Mac.) Attended occasional committee meetings to provide advice in technical questions. |
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. |
| Summers 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. | |