J.T. Devreese – författare

The Advanced Study Institute on "Theoretical Aspects and New Developments in Magneto-Optics" was held at the University of Antwerpen (R.U.C.A.), from July 16 to July 28, 1979. The Institute was sponsored by NATO. Co-sponsors were: Agfa-Gevaert (Belgium), A.S.L.K. (Belgium), Bell Telephone Mfg. CO. (Belgium), Esso Belgium, Generale Bankmaatschappij (Belgium), General Motors (Belgium), I.B.M. (Belgium), Kredietbank (Belgium), Metallurgie Hoboken-Over­ pelt (Belgium), National Science Foundation (U.S.A). A total of 60 lecturers and participants attended the Institute. Scope of the Institute The magneto-optic phenomena are due to the change of the polarizability of a substance as a result of the splitting of the quantized energy bands. Most of these phenomena were discovered during the second half of this century. The understanding of the magneto-optical effects of all kinds, however, was brought by the advent of quantum mechanics, and since then important progress has been made in many fields of experimental methods and techniques.

The International Workshop on "The Use of Supercomputers in Theoretical Science" took place on January 24 and 25, 1991, at the University of Antwerp (UIA), Antwerpen, Belgium. It was the sixth in a series of workshops, the fIrst of which took place in 1984. The principal aim of these workshops is to present the state of the art in scientific large-scale and high speed-computation. Computational science has developed into a third methodology equally important now as its theoretical and experimental companions. Gradually academic researchers acquired access to a variety of supercomputers and as a consequence computational science has become a major tool for their work. It is a pleasure to thank the Belgian National Science Foundation (NFWO-FNRS) and the Ministry of ScientifIc Affairs for sponsoring the workshop. It was organized both in the framework of the Third Cycle "Vectorization, Parallel Processing and Supercomputers" and the "Governemental Program in Information Technology". We also very much would like to thank the University of Antwerp (Universitaire Instelling Antwerpen -VIA) for fInancial and material support. Special thanks are due to Mrs. H. Evans for the typing and editing of the manuscripts and for the preparation of the author and subject indexes. J.T. Devreese P.E. Van Camp University of Antwerp July 1991 v CONlENTS High Perfonnance Numerically Intensive Applications on Distributed Memory Parallel Computers .................... . F.W. Wray Abstract ......................................... .

The International Workshop on "The Use of Supercomputers in Theoretical Science" took place on November 29 and 30, 1989 at the University of Antwerp (UIA), Antwerpen, Belgium. It was the fifth in a series of workshops, the first of which took place in 1984. The principal aim of these workshops is to present the state-of-the-art in scientific large scale and high speed computation. Computational science has developed into a third methodology equally important now as its theoretical and experimental companions. Gradually academic researchers acquired access to a variety of supercomputers and as a consequence computational science has become a major tool for their work. It is a pleasure to thank the Belgian National Science Foundation (NFWO-FNRS) and the Ministry of Scientific Affairs for sponsoring the workshop. It was organized both in the framework of the Third Cycle "Vectorization, Parallel Processing and Supercomputers" and the "Governemental Program in Information Technology"~ We also very much would like to thank the University of Antwerp (Universitaire Instelling Antwerpen - UIA) for financial and material support. Special thanks are due to Mrs. H. Evans for the typing and editing of the manuscripts and for the preparation of the author and subject index.

The International Workshops on "The Use of Supercomputers in Theoretical Science" have become a tradition at the Univer­ sity of Antwerp, Belgium. The first one took place in 1984. This volume combines the proceedings of the second work­ shop (December 12, 1985), of the third (June 16, 1987) and of the fourth (June 9, 1988). The principal aim of the International Workshops is to present the state-of-the-art in scientific high speed computa­ tion. Indeed, during the past ten years computational science has become a third methodology with merits equal to the theo­ retical and experimental sciences. Regretfully, access to supercomputers remains limited for academic researchers. None­ theless, supercomputers have become a major tool for scientists in a wide variety of scientific fields, and they lead to a realistic solution of problems that could not be solved a decade ago. It is a pleasure to thank the Belgian National Science Foundation (NFWO-FNRS) for the sponsoring of all the workshops. These workshops are organized in the framework of the Third Cy­ cle "Vectorization, Parallel Processing and Supercomputers", which is also funded by the NFWO-FNRS. The other sponsor I want to thank is the University of Antwerp, where the workshops took place. The University of Antwerp (UIA), together with the NFWO-FNRS, are also the main sponsors of the ALPHA-project, which gives the scientists of Belgium the opportunity to obtain an easy supercomputer connection.

The 1986 Advanced Study Institute on "The Physics of the two-Dimen­ sional Electron Gas" took place at the Conference Centre liTer Helme", close to Oostende (Belgium), from June 2 till 16, 1986. We were motivated to organize this Advanced Study Institute in view of the recent experimental and theoretical progress in the study of the two-dimensional electron gas. An additional motivation was our own theore­ tical interest in cyclotron resonance in two-dimensional electron systems at our institute. It is my pleasure to thank several instances and people who made this Advanced Study Institute possible. First of all, the sponsor of the Advanced Study Institute, the NATO Scientific Committee. Furthermore, the co­ sponsors: Agfa Gevaert, Bell Telephone Mfg. Co. N.V., Burroughs Belgium. Control Data. Digital Equipment Corporation, Esso Belgium. European Research Office (USA). Kredietbank. National Science Foundation (USA). Special thanks are due to the members of the Program Committee and the members of the Organizing Committee. I would also like to thank Mrs. H. Evans for typing assistance.

The 1982 Antwerp Advanced Study Institute on "Physics of Polarons and Excitons in Polar Semiconductors and Ionic Crystals" took place from July 26 till August 5 at the Conference Center Priorij Corsen­ donk, a restored monastery, close to the city of Antwerp. It was the seventh Institute in our series which started in 1971. This Advanced Study Institute, which was held fifty years after Landau introduced the polaron concept, can be considered as the third major international symposium devoted to the physics of pola­ rons. The first such symposium took place in St. Andrews in 1962 under the title "Polarons and Excitons" [I]. The early theoretical developments related to polarons were reviewed in depth at this meeting; the derivation of the polaron hamiltonian by Frohlich, the Frohlich weak coupling theory (and the equivalent weak coupling canonical transformations), the Landau-Pekar and Bogolubov strong coupling theory and the Feynman polaron model formulated with his path integrals. The main emphasis was on the polaron self-energy, effective mass and mobility. From the experimental side the first evidence for polaron effects was provided by the pioneering cyclotron and mobility measurements o~ the silver halides by F. e. Brown and his group. Also the significance of polaron effects for the under­ standing of excitons in ionic crystals was a central topic in St. Andrews. The second Advanced Study Institute concerning polaron physics was organized at the University of Antwerp (R. U. C. A.

The International Workshop on "The Use of Supercomputers in Theoretical Science" took place on November 29 and 30, 1989 at the University of Antwerp (UIA), Antwerpen, Belgium. It was the fifth in a series of workshops, the first of which took place in 1984. The principal aim of these workshops is to present the state-of-the-art in scientific large scale and high speed computation. Computational science has developed into a third methodology equally important now as its theoretical and experimental companions. Gradually academic researchers acquired access to a variety of supercomputers and as a consequence computational science has become a major tool for their work. It is a pleasure to thank the Belgian National Science Foundation (NFWO-FNRS) and the Ministry of Scientific Affairs for sponsoring the workshop. It was organized both in the framework of the Third Cycle "Vectorization, Parallel Processing and Supercomputers" and the "Governemental Program in Information Technology"~ We also very much would like to thank the University of Antwerp (Universitaire Instelling Antwerpen - UIA) for financial and material support. Special thanks are due to Mrs. H. Evans for the typing and editing of the manuscripts and for the preparation of the author and subject index.

The International Workshops on "The Use of Supercomputers in Theoretical Science" have become a tradition at the Univer­ sity of Antwerp, Belgium. The first one took place in 1984. This volume combines the proceedings of the second work­ shop (December 12, 1985), of the third (June 16, 1987) and of the fourth (June 9, 1988). The principal aim of the International Workshops is to present the state-of-the-art in scientific high speed computa­ tion. Indeed, during the past ten years computational science has become a third methodology with merits equal to the theo­ retical and experimental sciences. Regretfully, access to supercomputers remains limited for academic researchers. None­ theless, supercomputers have become a major tool for scientists in a wide variety of scientific fields, and they lead to a realistic solution of problems that could not be solved a decade ago. It is a pleasure to thank the Belgian National Science Foundation (NFWO-FNRS) for the sponsoring of all the workshops. These workshops are organized in the framework of the Third Cy­ cle "Vectorization, Parallel Processing and Supercomputers", which is also funded by the NFWO-FNRS. The other sponsor I want to thank is the University of Antwerp, where the workshops took place. The University of Antwerp (UIA), together with the NFWO-FNRS, are also the main sponsors of the ALPHA-project, which gives the scientists of Belgium the opportunity to obtain an easy supercomputer connection.

The 1986 Advanced Study Institute on "The Physics of the two-Dimen­ sional Electron Gas" took place at the Conference Centre liTer Helme", close to Oostende (Belgium), from June 2 till 16, 1986. We were motivated to organize this Advanced Study Institute in view of the recent experimental and theoretical progress in the study of the two-dimensional electron gas. An additional motivation was our own theore­ tical interest in cyclotron resonance in two-dimensional electron systems at our institute. It is my pleasure to thank several instances and people who made this Advanced Study Institute possible. First of all, the sponsor of the Advanced Study Institute, the NATO Scientific Committee. Furthermore, the co­ sponsors: Agfa Gevaert, Bell Telephone Mfg. Co. N.V., Burroughs Belgium. Control Data. Digital Equipment Corporation, Esso Belgium. European Research Office (USA). Kredietbank. National Science Foundation (USA). Special thanks are due to the members of the Program Committee and the members of the Organizing Committee. I would also like to thank Mrs. H. Evans for typing assistance.

The 1982 Antwerp Advanced Study Institute on "Physics of Polarons and Excitons in Polar Semiconductors and Ionic Crystals" took place from July 26 till August 5 at the Conference Center Priorij Corsen­ donk, a restored monastery, close to the city of Antwerp. It was the seventh Institute in our series which started in 1971. This Advanced Study Institute, which was held fifty years after Landau introduced the polaron concept, can be considered as the third major international symposium devoted to the physics of pola­ rons. The first such symposium took place in St. Andrews in 1962 under the title "Polarons and Excitons" [I]. The early theoretical developments related to polarons were reviewed in depth at this meeting; the derivation of the polaron hamiltonian by Frohlich, the Frohlich weak coupling theory (and the equivalent weak coupling canonical transformations), the Landau-Pekar and Bogolubov strong coupling theory and the Feynman polaron model formulated with his path integrals. The main emphasis was on the polaron self-energy, effective mass and mobility. From the experimental side the first evidence for polaron effects was provided by the pioneering cyclotron and mobility measurements o~ the silver halides by F. e. Brown and his group. Also the significance of polaron effects for the under­ standing of excitons in ionic crystals was a central topic in St. Andrews. The second Advanced Study Institute concerning polaron physics was organized at the University of Antwerp (R. U. C. A.

This volume contains of the proceedings of the CECAM {Centre d'Etudes de Calcul Atomique et Moleculaire} workshop on "Ab Initio Calculation of Phonon Spectra" which took place at the campus of the University of Antwerpen (Universitaire Instelling Antwerpen) on June 4 and 5, 1981. This workshop was sponsored by the Universitaire Instelling Antwerpen, by the Belgian "Nationaal Fonds voor Weten- schappelijk Onderzoek" and the Belgian Ministry of Education and Cultural Affairs. Although the calculation of phonon spectra in a solid has long been known to solid state physicists, it is only in the last decade that a macroscopic theory which treats the response of the electrons to the vibrations of the ions has been developed in a successful way. In the case of semiconductors numerical calculations of phonon frequencies were not performed until very recently due to the complex- ity of the problem. The correct treatment of the electron in the crystal has also led to an investigation of electron-phonon inter- action, including many body effects. Success has been achieved in the calculation of phonon anomalies and the coupling parameters in transition metals.In the case of surfaces the conductions for the appearance of electronic instabilities and the coupling of the resulting charge density wave to the lattice have been studied.

The Advanced Study Institute on "Theoretical Aspects and New Developments in Magneto-Optics" was held at the University of Antwerpen (R.U.C.A.), from July 16 to July 28, 1979. The Institute was sponsored by NATO. Co-sponsors were: Agfa-Gevaert (Belgium), A.S.L.K. (Belgium), Bell Telephone Mfg. CO. (Belgium), Esso Belgium, Generale Bankmaatschappij (Belgium), General Motors (Belgium), I.B.M. (Belgium), Kredietbank (Belgium), Metallurgie Hoboken-Over­ pelt (Belgium), National Science Foundation (U.S.A). A total of 60 lecturers and participants attended the Institute. Scope of the Institute The magneto-optic phenomena are due to the change of the polarizability of a substance as a result of the splitting of the quantized energy bands. Most of these phenomena were discovered during the second half of this century. The understanding of the magneto-optical effects of all kinds, however, was brought by the advent of quantum mechanics, and since then important progress has been made in many fields of experimental methods and techniques.

The Advanced Study Institute on "Theoretical Aspects and New Developments in Magneto-Optics" was held at the University of Antwerpen (R.U.C.A.), from July 16 to July 28, 1979. The Institute was sponsored by NATO. Co-sponsors were: Agfa-Gevaert (Belgium), A.S.L.K. (Belgium), Bell Telephone Mfg. CO. (Belgium), Esso Belgium, Generale Bankmaatschappij (Belgium), General Motors (Belgium), I.B.M. (Belgium), Kredietbank (Belgium), Metallurgie Hoboken-Over­ pelt (Belgium), National Science Foundation (U.S.A). A total of 60 lecturers and participants attended the Institute. Scope of the Institute The magneto-optic phenomena are due to the change of the polarizability of a substance as a result of the splitting of the quantized energy bands. Most of these phenomena were discovered during the second half of this century. The understanding of the magneto-optical effects of all kinds, however, was brought by the advent of quantum mechanics, and since then important progress has been made in many fields of experimental methods and techniques.

The International Workshop on "The Use of Supercomputers in Theoretical Science" took place on January 24 and 25, 1991, at the University of Antwerp (UIA), Antwerpen, Belgium. It was the sixth in a series of workshops, the fIrst of which took place in 1984. The principal aim of these workshops is to present the state of the art in scientific large-scale and high speed-computation. Computational science has developed into a third methodology equally important now as its theoretical and experimental companions. Gradually academic researchers acquired access to a variety of supercomputers and as a consequence computational science has become a major tool for their work. It is a pleasure to thank the Belgian National Science Foundation (NFWO-FNRS) and the Ministry of ScientifIc Affairs for sponsoring the workshop. It was organized both in the framework of the Third Cycle "Vectorization, Parallel Processing and Supercomputers" and the "Governemental Program in Information Technology". We also very much would like to thank the University of Antwerp (Universitaire Instelling Antwerpen -VIA) for fInancial and material support. Special thanks are due to Mrs. H. Evans for the typing and editing of the manuscripts and for the preparation of the author and subject indexes. J.T. Devreese P.E. Van Camp University of Antwerp July 1991 v CONlENTS High Perfonnance Numerically Intensive Applications on Distributed Memory Parallel Computers .................... . F.W. Wray Abstract ......................................... .