Basel Universität

Selected publications

  1. Sandip De, S. Alireza Ghasemi, Alexander Willand, Luigi Genovese, Dilip Kanhere, and Stefan Goedecker: The effect of ionization on the global minima of small and medium sized silicon and magnesium clusters, J. Chem. Phys. {\bf 134}, 124302 (2011) .pdf
  2. Luigi Genovese, Brice Videau, Matthieu Ospici, Thierry Deutsch, Stefan Goedecker, Jean-François Méhaut: Daubechies wavelets for high performance electronic structure calculations: The BigDFT project, C. R. Mecanique {\bf 339} 149 (2011) .pdf
  3. Pascal Pochet1, Luigi Genovese, Sandip De, Stefan Goedecker, Damien Caliste, S. Alireza Ghasemi, Kuo Bao, and Thierry Deutsch: Low-energy boron fullerenes: Role of disorder and potential synthesis pathways, Phys. Rev. B {\bf 83}, 081403(R) (2011) .pdf
  4. Michael Sicher, Stephan Mohr, and Stefan Goedecker: Efficient moves for global geometry optimization methods and their application to binary systems, J. Chem. Phys. {\bf 134}, 044106 (2011) .pdf
  5. Sandip De, Alexander Willand, Maximilian Amsler, Pascal Pochet, Luigi Genovese, and Stefan Goedecker: Energy Landscape of Fullerene Materials: A Comparison of Boron to Boron Nitride and Carbon, Phys. Rev. Lett. {\bf 106}, 225502 (2011) .pdf
  6. Maximilian Amsler and Stefan Goedecker: Crystal structure prediction using the minima hopping method, J. Chem. Phys. {\bf 133}, 224104 (2010) .pdf
  7. Pascal Pochet, Luigi Genovese, Damien Caliste, Ian Rousseau, Stefan Goedecker and Thierry Deutsch: First-principles prediction of stable SiC cage structures and their synthesis pathways, Phys. Rev. B 82, 035431 (2010) .pdf
  8. Alex Willand, Matthias Gramzow, S. Alireza Ghasemi, Luigi Genovese, Thierry Deutsch, Karsten Reuter and Stefan Goedecker: Structural metastability of endohedral silicon fullerenes, Rapid Communication in Phys. Rev. B 81, 201405(R) (2010) .pdf
  9. S. Alireza Ghasemi, Maximilian Amsler, Richard G. Hennig, Shantanu Roy, Stefan Goedecker, Cyrus J. Umrigar, Luigi Genovese, Thomas J. Lenosky, Tetsuya Morishita, Kengo Nishio: The energy landscape of silicon systems and its description by force fields, tight binding schemes, density functional methods and Quantum Monte Carlo methods, Phys. Rev. B 81, 214107 (2010) .pdf
  10. X. Gonze et al.:ABINIT: First-principles approach to material and nanosystem properties, Computer Physics Communications 180 2582 (2009) .pdf
  11. Luigi Genovese, Matthieu Ospici, Thierry Deutsch, Jean-François Méhaut, Alexey Neelov and Stefan Goedecker: Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures, J. Chem. Phys. 131, 034103 (2009) .pdf
  12. Shantanu Roy, Stefan Goedecker, Martin J. Field and Evgeni Penev: A Minima Hopping Study of All-Atom Protein Folding and Structure Prediction, J. Phys. Chem. B, 113, 7315 (2009) .pdf
  13. Maximilian Amsler, S. Alireza Ghasemi, Stefan Goedecker, Alexey Neelov and Luigi Genovese: Adsorption of small NaCl clusters on surfaces of silicon nanostructures, Nanotechnology 20, 445301 (2009) .pdf
  14. Sandro E. Schoenborn, Stefan Goedecker, Shantanu Roy: The performance of Minima Hopping and Evolutionary Algorithms for cluster structure prediction, J. Chem. Phys. 130, 144108 (2009) .pdf
  15. Kuo Bao, Stefan Goedecker, Kenji Koga, Frederic Lancon, and Alexey Neelov: Structure of large gold clusters obtained by global optimization using the minima hopping method, Phys. Rev. B 79 041405 (2009) .pdf
  16. Daubechies wavelets as a basis set for density functional pseudopotential calculations, Luigi Genovese, Alexey Neelov, Stefan Goedecker, Thierry Deutsch, Alireza Ghasemi, Oded Zilberberg, Anders Bergman, Mark Rayson and Reinhold Schneider, J. Chem. Phys. 129, 014109 (2008) .pdf
  17. Ubiquitous Mechanisms of Energy Dissipation in Noncontact Atomic Force Microscopy, S. Alireza Ghasemi, Stefan Goedecker, Alexis Baratoff, Thomas Lenosky, Ernst Meyer, and Hans J. Hug Phys. Rev. Lett. 100, 236106 (2008) .pdf
  18. Bell-Evans-Polanyi principle for molecular dynamics trajectories and its implications for global optimization, Shantanu Roy, Stefan Goedecker, and Vladimir Hellmann, Phys. Rev. E 77, 056707 (2008) .pdf
  19. A particle-particle, particle-density algorithm for the calculation of electrostatic interactions of particles with slablike geometry, S. Alireza Ghasemi, Alexey Neelov, and Stefan Goedecker, J. Chem. Phys. 127, 224102 (2007) .pdf
  20. Efficient and accurate three-dimensional Poisson solver for surface problems, Luigi Genovese, Thierry Deutsch, and Stefan Goedecker, J. Chem. Phys. 127, 054704 (2007) .pdf
  21. Particle-particle, particle-scaling function algorithm for electrostatic problems in free boundary conditions, Alexey Neelov, S. Alireza Ghasemi, and Stefan Goedecker, J. Chem. Phys. 127, 024109 (2007) .pdf
  22. Questioning the existence of a unique ground-state structure for Si clusters, Waldemar Hellmann, R. G. Hennig, Stefan Goedecker, C. J. Umrigar, Bernard Delley, and T. Lenosky, Phys. Rev. B 75, 085411 (2007) .pdf
  23. Efficient solution of Poisson's equation with free boundary conditions, Luigi Genovese, Thierry Deutsch, Alexey Neelov, Stefan Goedecker, and Gregory Beylkin, J. Chem. Phys. 125, 074105 (2006) .pdf
  24. Global Minimum Determination of the Born-Oppenheimer Surface within Density Functional Theory Stefan Goedecker, Waldemar Hellmann, and Thomas Lenosky Phys. Rev. Lett. 95, 055501 (2005) .pdf
  25. Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems, Stefan Goedecker, J. Chem. Phys. 120, 9911 (2004) .pdf
  26. A Fourfold Coordinated Point Defect in Silicon, Stefan Goedecker, Thierry Deutsch, and Luc Billard, Phys. Rev. Lett. 88, 235501 (2002) .pdf
  27. Linear scaling relaxation of the atomic positions in nanostructures, Stefan Goedecker, Frédéric Lançon, and Thierry Deutsch, Phys. Rev. B 64, 161102 (2001) .pdf
  28. Linear scaling electronic structure methods, Stefan Goedecker, Rev. Mod. Phys. 71, 1085 (1999) .pdf
  29. Relativistic separable dual-space Gaussian pseudopotentials from H to Rn, C. Hartwigsen, S. Goedecker, and J. Hutter, Phys. Rev. B 58, 3641 (1998) .pdf
  30. Natural Orbital Functional for the Many-Electron Problem, S. Goedecker and C. J. Umrigar, Phys. Rev. Lett. 81, 866 (1998) .pdf
  31. Fast Radix 2, 3, 4, and 5 Kernels for Fast Fourier Transformations on Computers with Overlapping Multiply--Add Instructions, S. Goedecker, SIAM J. Sci. Comput. 18, 1605 (1997) .pdf
  32. Critical assessment of the self-interaction-corrected–local-density-functional method and its algorithmic implementation, S. Goedecker and C. J. Umrigar, Phys. Rev. A 55, 1765 (1997) .pdf
  33. Separable dual-space Gaussian pseudopotentials, S. Goedecker, M. Teter, and J. Hutter, Phys. Rev. B 54, 1703 (1996) .pdf
  34. Tight-binding electronic-structure calculations and tight-binding molecular dynamics with localized orbitals, S. Goedecker and M. Teter, Phys. Rev. B 51, 9455 (1995) .pdf
  35. Operator approach in the linearized augmented-plane-wave method: Efficient electronic-structure calculations including forces, S. Goedecker and K. Maschke, Phys. Rev. B 45, 1597 (1992) .pdf
  36. Transferability of pseudopotentials, S. Goedecker and K. Maschke, Phys. Rev. A 45, 88 (1992) .pdf
  37. "Wavelets and their application for the solution of partial differential equations", Presses Polytechniques Universitaires et Romandes, Lausanne, Switzerland 1998, (ISBN 2-88074-398-2), out of print, .pdf
  38. Full list of publications .pdf