Conferences and Seminars

2006

Peter E. Blöchl
"Molekulares Design von Grenzflächen auf der Basis von Dichtefunktionalsimulationen" (Molecular Design of Interfaces based on Density Functional Theory)
"Modellierung in der Festkörper und Materialchemie'', 13. Vortragstagung of the GdCH, Aachen, Germany, Sept. 20-22,2006
Peter E. Blöchl
"Insights on the Nitrogen Fixation Mechanism from First Principles"
PSII Tagung des SFB498, "Protein-Cofactor Interaction" Berlin, Germany, May 5-6, 2006
Peter E. Blöchl
"Analysis and Design of Materials-Processes for Future Transistors"
DFTEM 2006 - bringing together two communities, International Conference on Density Functional Theory (DFT) and Transmission Electron Microscopy (TEM), Vienna, Austria, Apr. 21-23, 2006
Peter E. Blöchl
"First principles calculations on the formation of epitaxial semiconductor oxide interfaces for future transistor generations"
Computational Science Workshop 2006 (CSW2006), Tsukuba, Japan, Apr. 17-19, 2006
Peter E. Blöchl
"Towards Computational Materials Design of Oxide films"
Workshop on Ab-initio Description of Iron and Steel (ADIS-2006), Schloss Ringberg Castle, Tegernsee, Germany, Feb. 19-24, 2006

2005

Peter E. Blöchl
"Insights on the formation of epitaxial High-K oxides on silicon from first principles"
MRS 2005 Fall Meeting, Boston, USA, Nov. 28-Dec.2, 2005
Peter E. Blöchl
How nature breaks the strongest bond: The workings of the enzyme nitrogenase
CPMD 2005 "Ab-initio Molecular Dynamics Simulations - from Solid State Physics to Chemistry and Biology",
Symposium in Honor of Professor Michele Parrinello on the Occasion of his 60th Birthday. Ascona, Switzerland,September 3-8, 2005 (i)
Peter E. Blöchl
"Ab-initio simulations on growth and interface properties of epitaxial high-k oxides on silicon"
14th bi-annual conference on Insulating Films on Semiconductors (INFOS 2005), Leuven, Belgium, June 22-24, 2005 (i)
Peter E. Blöchl
"How nature breaks the strongest bond -- The enzyme nitrogenase at work"
Probing potential energy surfaces (PPES-III), Gornergrat-Zermatt, Switzerland, April 3-8, 2005 (i)
Alexander Poddey
"Dimer method for the determination fo transition states"
Probing potential energy surfaces (PPES-III), Gornergrat-Zermatt, Switzerland, April 3-8, 2005 (i)

2004

Peter E. Blöchl
Modeling of expitaxial high-k oxides on Si and of their interfaces
IST-INVEST Workshop, Genua, Italy, Oct. 21-22, 2004 (i)
Clemens J. Först, Christopher R. Ashman, Karlheinz Schwarz and Peter E. Blöchl
"The SrTiO3/Si interface: Insights from ab-initio simulations"
CECAM Workshop on "Atomic processes at semiconductor-oxide interfaces in microelectronic devices", Lyon, France, Sept. 13.-15, 2004. (i)
Peter Blöchl, Johannes Kästner
How does nature break the strongest bond: First principles simulations of the enzyme nitrogenase
Theoretisch-Chemisches Seminar der Ruhr-Universität Bochum, Bochum, Germany, Jul. 28, 2004. (i)
Peter Blöchl, Clemens J. Först, Christopher R. Ashman
Interfacing silicon with high-K oxides
Workshop on Nanosimulation of Material Properties, Stuttgart, Germany, July 19, 2004 (i)
Sascha Hemmen, Alex Poddey
Stereselective arylation of alkenes
Erster Studentenworkshop TU-Clausthal/TU Ilmenau, Clausthal, Germany, July 19, 2004 (c).
Alex Poddey, Sascha Hemmen
Fictitious-lagrangian dimer method
Erster Studentenworkshop TU-Clausthal/TU Ilmenau, Clausthal, Germany, July 19, 2004 (c).
Peter Blöchl
Mit dem Computer in die Nanowelt: Ab-initio Simulationen von der Biochemie zur Halbleitertechnologie
Plenary session of the Braunschweigische Wissenschaftliche Gesellschaft, Clausthal, Germany, Jul. 7, 2004. (i)
Johannes Kästner and Peter Blöchl
"Unraveling biological nitrogen fixation: Insights from first-principles calculations"
Gordon conference "Electron Distribution & Chemical Bonding", Mount Holyoke College, South Hadley, MA, USA; July 4-9, 2004.(i)
Johannes Kästner and Peter Blöchl
"Active role of the FeMo-cofactor: a comprehensive model of the mechanism from first-principles calculations"
Gordon conference "Nitrogen Fixation", Colby-Sawyer College, New London NH, USA; June 20-25, 2004. (i)
Peter Blöchl
"to be announced"
18. Darmstädter Molecular Modeling Workshop
Erlangen Germany, May 18-29, 2004 (i)
Clemens J. Först
Ab-inito simulations of the growth of high-k oxides on silicon: the SrTiO3/Si interface
Institute for Semiconductor Engineering, University of Darmstadt, Germany; 07.05.2004 (i)
Clemens J. Först, Christopher R. Ashman, Karlheinz Schwarz and Peter E. Blöchl
"Materials for future transitors: The interface between silicon and strontium titanate"
19th Workshop on Novel Materials and Superconductors, Planneralm, Austria, Feb. 22.-28, 2004. (i)

2003

Johannes Schimpl "Reaktionsmechanismus von Nitrogenase"
Universitaet Bonn, Germany, Dec. 11, 2003.(i)
Peter E. Blöchl, C. Ashman and C.J. Först and K. Schwarz "First-principles calculations of the formation of the SrTiO3/Si interfaces"
34th IEEE Semiconductor Interface Specialists Conference (SISC)
Washington DC, USA; December 4-6, 2003. (i)
Peter E. Blöchl, C. Ashman and C.J. Först and K. Schwarz "First-principles calculations of the formation of the SrTiO3/Si interfaces"
2003 Fall Meeting of the Material Research Society,
Boston, USA; December,1-5, 2003. (i)
Christopher Ashman, C.J. Först, K. Schwarz and P.E. Blöchl "Sr adsorption on Si(001)"
2003 Fall Meeting of the Material Research Society,
Boston, USA; December,1-5, 2003. (c)
Peter E. Blöchl, Tutorial on the PAW Method
Workshop on Application of Density-Functional Theory in Condensed-Matter Physics, Surface Physics,Chemistry, Engineering, and Biology
Fritz-Haber Institute, Berlin, Germany, July 21-30, 2003 (i)
Peter E. Blöchl, C. Ashman and C.J. Först and K. Schwarz Growth Steps of SrTiO3 on Si and band-offset engineering by controlled oxidation
"Workshop on the electronic structure of Condensed Matter II"; Schloss Ringberg, Kreuth, Germany, June 22-24, 2003 (i).
Peter E. Blöchl, C. Ashman and C.J. Först and K. Schwarz Initial growth steps of high-k Oxides on silicon
E-MRS Meeting Strassbourg, France; June 10-13, 2003 (i)
Clemens J. Först, C. Ashman, K. Schwarz, P.E. Blöchl, Interfacing High-K Oxides with Silicon: Solutions from ab-initio simulations
ESF exploratory Workshop on "Growth, structure and electrical properties of high-k gate dielectrics: atomistic modeling vs experiment",
Ruschlikon, Switzerland; Mar. 17-18, 2003 (i)
Peter E. Blöchl, Ab-initio calculations of degradation of Si/SiO2 and initial growth steps of high-k oxides on silicon
March Meeting of the American Physical Society
Austin, Texas, USA; March 3-7, 2003 (i)

2002

Peter E. Blöchl, C.J. Först, K. Schwarz Initial Steps of MBE Growth of High-K Oxides on Si(001): Insights from Ab-Initio Simulation
3rd International Meeting "Challenges in Predictive Process Simulation-ChiPPS 2002"
Prague, Czech Republic; Oct. 13-17, 2002 (i) (Talk presented by Clemens Först)
Clemens J. Först, C. Ashman, P.E. Blöchl, K. Schwarz Introduction to the Projector Augmented Wave Method and Applications related to High-K Oxides,
XII Workshop on Computational Materials Science (CMS2002) Cagliari, Italy, 23-29 Sep. 2002. (i)
Clemens J. Först, C. Ashman, P.E. Blöchl, K. Schwarz
First-Principles Simulations of the Heteroepitaxial Growth of High-K Gate Oxides on Silicon,
Workshop "Nano and Giga Challenges in Microelectronics"; Mosow, Russia; Sep. 10-13, 2002. (c)
Peter E. Blöchl,
Tutorial on the Projector augmented wave method,
Workshop on "Realistic Theories of Correlated Electron Materials"
Institute of Theoretical Physics, UCSB, Santa Barbara, CA, USA; Jul. 20-Dec.20, 2002 (i)
Clemens J. Först, Peter E. Blöchl, Karlheinz Schwarz,
Heteroepitaxial growth of high-k Gate oxides on Silicon: Insights from first-principles calculations,
Strasbourg, France; June 18-21, 2002 (c).
Clemens J. Först, Introduction to ab-initio molecular dynamics and the PAW method,
Science Seminar, I Institute of Theoretical physics, University of Hamburg, Germany, May 14, 2002 (i).
Peter E. Blöchl, Clemens J. Först, Karlheinz Schwarz, Growth of high-K gate oxides on silicon: What we learned from ab-initio simulations,
Workshop Schloss Ringberg, Germany, May 29-June 1, 2002 (i).
Peter E. Blöchl, Clemens J. Först, Ab-Initio Results from SiO2 to High-k Gate Oxides,
Spring Meeting of the Materials Research Society, San Francisco, CA, USA; April 1-5, 2002 (i).
Peter E. Blöchl, Insights on Gate Oxides for MOSFETs from First-Principles Calculations,
42nd Sanibel Symposium, St. Augustine, FL, USA; Feb. 23-Mar. 1, 2002 (i)
Johannes Schimpl, P.E. Blöchl, Non-Collinear Magnetism of Iron-Sulfur Proteins,
17. Workshop on Novel Materials and Superconductors, Planneralm, Austria, Feb. 24-Mar. 2, 2002 (c)
Peter E. Blöchl, Insights on Gate Oxides for MOSFETs from First-Principles Calculations,
Condensed Matter Theory Seminar, University of Basel, Switzerland, Feb. 4, 2002 (i)
Clemens J. Först, P.E. Blöchl, K. Schwarz, The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions,
Edgar Lüscher Seminar, Serneus, Switzerland, Feb. 2-8, 2002 (i)

2001

Peter E. Blöchl, The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions,
First Conference of the Asian Consortium for Computational Material Science (ACCMS-1),
Bangalore, India;Nov. 29-Dec. 1, 2001. (i) (pictures)
Peter E. Blöchl, New Two-Thermostat Formulation of Ab-initio Molecular Dynamics,
Theory Seminar, Fritz Haber Institut Berlin, Germany; Nov. 1, 2001 (i)
Peter E. Blöchl, "Hydrogen Electrochemistry in Silica and Breakdown of Gate Oxides"
Seminar, University of Hannover, Germany; Jul. 6, 2001 (i)
Peter E. Blöchl, "A new Two-Thermostat Formulation of Ab-initio Molecular Dynamics"
Thirteenth annual workshop on Recent Developments in Electronic Structure Algorithms (Es2001),
Princeton University, NJ, USA; Jun. 15-18, 2001 (i).
Peter E. Blöchl, "The Projector Augmented Wave Method"
Seminar Frenking group, Gerhard Mercator University, Marburg, Germany, Jun. 1, 2001 (i).
Peter E. Blöchl, "Hydrogen Electrochemistry in Silica and Breakdown of Gate Oxides"
41st Sanibel Symposium, Florida, USA; Feb. 24 -Mar. 2, 2001 (i, cancelled)
Peter E. Blöchl, "Insights on the dielectric breakdown in transistors from density functional calculations"
"Conference on Applied Density functional Theory", Vienna, Austria; Jan. 14-17, 2001 (i)
Jürgen Noffke, "Symmetrieeigenschaften elektronischer Zustände in Festkörpern"
Sommerschool of the German Physical Society " Halle, Germany

2000

Peter. E. Blöchl, "Defects in Silica related to Breakdown in Gate Oxides"
"3rd Japan-Korea Joint Workshop on first principles electronic structure calculations"
Tsukuba, Japan Oct. 30-Nov. 1, 2000 (i)