Cluster Expansions for Thermodynamics and Kinetics of Multicomponent Alloys von Zhang, Xi, Sluiter, Marcel H. F.

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Perspectives on point defect thermodynamics von Rogal, Jutta, Divinski, Sergiy V., Finnis, Mike W., Glensk, Albert, Neugebauer, Jörg, Perepezko, John H., Schuwalow, Sergej, Sluiter, Marcel H. F., Sundman, Bo

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Phonon broadening in high entropy alloys von Körmann, Fritz, Ikeda, Yuji, Grabowski, Blazej, Sluiter, Marcel H. F.

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First-principles prediction of partitioning of alloying elements between cementite and ferrite von Ande, Chaitanya Krishna, Sluiter, Marcel H.F.

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First-Principles Calculations on Stabilization of Iron Carbides (Fe3C, Fe5C2, and η-Fe2C) in Steels by Common Alloying Elements von Ande, Chaitanya Krishna, Sluiter, Marcel H. F.

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MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code von Duff, Andrew Ian, Finnis, M.W., Maugis, Philippe, Thijsse, Barend J., Sluiter, Marcel H.F.

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Calphad Modeling of LRO and SRO Using ab initio Data von Enoki, Masanori, Sundman, Bo, Sluiter, Marcel H. F., Selleby, Malin, Ohtani, Hiroshi

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Ab initio prediction of vacancy properties in concentrated alloys: The case of fcc Cu-Ni von Zhang, Xi, Sluiter, Marcel H. F.

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Neural network relief: a pruning algorithm based on neural activity von Dekhovich, Aleksandr, Tax, David M. J., Sluiter, Marcel H. F., Bessa, Miguel A.

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A reference-free MEAM potential for α-Fe and γ-Fe von Slooter, Rutger J, Sluiter, Marcel H F, Kranendonk, Winfried G T, Bos, Cornelis

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First principles based design and experimental evidence for a ZnO-based ferromagnet at room temperature von Sluiter, Marcel H F, Kawazoe, Y, Sharma, Parmanand, Inoue, A, Raju, A R, Rout, C, Waghmare, U V

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Cluster expansion method for adsorption: Application to hydrogen chemisorption on graphene von Sluiter, Marcel H. F., Kawazoe, Yoshiyuki

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Ab initio characterization of B, C, N, and O in bcc iron: Solution and migration energies and elastic strain fields von Souissi, Maaouia, Chen, Ying, Sluiter, Marcel H.F., Numakura, Hiroshi

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The effectiveness of reference-free modified embedded atom method potentials demonstrated for NiTi and NbMoTaW von Srinivasan, Prashanth, Duff, Andrew I, Mellan, Thomas A, Sluiter, Marcel H F, Nicola, Lucia, Simone, Angelo

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Effect of mixed partial occupation of metal sites on the phase stability of γ-Cr23− x Fe x C6 (x = 0–3) carbides von Souissi, Maaouia, Sluiter, Marcel H F, Matsunaga, Tetsuya, Tabuchi, Masaaki, Mills, Michael J, Sahara, Ryoji

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Approximation and Characteristic Times in Precipitation Modelling von Slooter, Rutger J., Sluiter, Marcel H. F., Kranendonk, Winfried G. T., Bos, Cornelis

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Effect of a nickel dimer on the dissociation dynamics of a hydrogen molecule von Sahara, Ryoji, Mizuseki, Hiroshi, Sluiter, Marcel H. F., Ohno, Kaoru, Kawazoe, Yoshiyuki

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Effect of mixed partial occupation of metal sites on the phase stability of γ-Cr23−xFe x C6 (x = 0–3) carbides von Souissi, Maaouia, Sluiter, Marcel H. F., Matsunaga, Tetsuya, Tabuchi, Masaaki, Mills, Michael J., Sahara, Ryoji

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Materials databases for the computational materials scientist von Sluiter, Marcel H. F., Simonovic, Darko, Tasci, Emre S.

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Stresses at grain boundaries: The maximum incompatibility stress in an infinitely extended elastic bicrystal under uniaxial loading von Liu, Kai, Sluiter, Marcel H.F.

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