Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead von Ropo, M., Blum, V., Baldauf, C.

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Density functional study of structure and dynamics in liquid antimony and Sbn clusters von Jones, R O, Ahlstedt, O

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High temperature oxidation of Fe–Al and Fe–Cr–Al alloys: The role of Cr as a chemically active element von Airiskallio, E., Nurmi, E., Heinonen, M.H., Väyrynen, I.J., Kokko, K., Ropo, M., Punkkinen, M.P.J., Pitkänen, H., Alatalo, M., Kollár, J., Johansson, B., Vitos, L.

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Density functional study of structure and dynamics in liquid antimony and Sb n clusters von Jones, R. O., Ahlstedt, O., Akola, J., Ropo, M.

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Ab initio study of the surface properties of austenitic stainless steel alloys von Pitkänen, H., Alatalo, M., Puisto, A., Ropo, M., Kokko, K., Vitos, L.

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First-principles atomistic study of surfaces of Fe-rich Fe–Cr von Ropo, M, Kokko, K, Airiskallio, E, Punkkinen, M P J, Hogmark, S, Kollár, J, Johansson, B, Vitos, L

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Adhesion of the iron-chromium oxide interface from first-principles theory von Punkkinen, M P J, Kokko, K, Levämäki, H, Ropo, M, Lu, S, Delczeg, L, Zhang, H L, Delczeg-Czirjak, E K, Johansson, B, Vitos, L

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Magnetic origin of the chemical balance in alloyed Fe–Cr stainless steels: First-principles and Ising model study von Airiskallio, E., Nurmi, E., Väyrynen, I.J., Kokko, K., Ropo, M., Punkkinen, M.P.J., Johansson, B., Vitos, L.

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Bismuth-stabilized c(2X6) reconstruction on a InSb(100) substrate: Violation of the electron counting model von Laukkanen, P., Punkkinen, M. P. J., Rasanen, N., Ahola-Tuomi, M., Kuzmin, M., Lang, J., Sadowski, J., Adell, Johan, Perala, R. E., Ropo, M., Kokko, K., Vitos, L., Johansson, B., Pessa, M., Vayrynen, I. J.

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The chemical potential in surface segregation calculations: AgPd alloys von Ropo, M., Kokko, K., Vitos, L., Kollár, J., Johansson, B.

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Towards an Efficient Process Placement Policy for MPI Applications in Multicore Environments von Mercier, Guillaume, Clet-Ortega, Jérôme

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EPD078 - COMPARING PREDICTED AND RECONSTRUCTED DOSE RATES FOR FIRST CLINICAL PROTON FLASH TRIAL TREATMENT PLANS von Pfeiler, T., Mletzko, C., Lansonneur, P., Ropo, M., Folkerts, M., Huth, I.

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COMPARING PREDICTED AND RECONSTRUCTED DOSE RATES FOR FIRST CLINICAL PROTON FLASH TRIAL TREATMENT PLANS von Pfeiler, T., Mletzko, C., Lansonneur, P., Ropo, M., Folkerts, M., Huth, I.

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Core-level shifts of the c(8 × 2)-reconstructed InAs(1 0 0) and InSb(1 0 0) surfaces von Laukkanen, P., Punkkinen, M.P.J., Ahola-Tuomi, M., Lång, J., Schulte, K., Pietzsch, A., Kuzmin, M., Sadowski, J., Adell, J., Perälä, R.E., Ropo, M., Kokko, K., Vitos, L., Johansson, B., Pessa, M., Väyrynen, I.J.

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Core-level shifts of InP(1 0 0)(2 × 4) surface: Theory and experiment von Punkkinen, M.P.J., Laukkanen, P., Ahola-Tuomi, M., Pakarinen, J., Kuzmin, M., Tukiainen, A., Perälä, R.E., Lång, J., Ropo, M., Kokko, K., Vitos, L., Johansson, B., Pessa, M., Väyrynen, I.J.

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Surface core-level shift of Pd at the AgcPd1-c(111) surface : Nonlinear subsurface effects von KOKKO, K, ROPO, M, PUNKKINEN, M. P. J, LAUKKANEN, P, ALATALO, M, VITOS, L, KOLLAR, J, JOHANSSON, B

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VolpexMPI: An MPI Library for Execution of Parallel Applications on Volatile Nodes von LeBlanc, Troy, Anand, Rakhi, Gabriel, Edgar, Subhlok, Jaspal

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An automated algorithm for reliable equation of state fitting of magnetic systems von Levämäki, H., Tian, L.-Y., Vitos, L., Ropo, M.

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CoMPI: Enhancing MPI Based Applications Performance and Scalability Using Run-Time Compression von Filgueira, Rosa, Singh, David E., Calderón, Alejandro, Carretero, Jesús

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MPI on a Million Processors von Balaji, Pavan, Buntinas, Darius, Goodell, David, Gropp, William, Kumar, Sameer, Lusk, Ewing, Thakur, Rajeev, Träff, Jesper Larsson

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