Recent Publications

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  1. Title: An ab initio path integral integral Monte Carlo simulation method for molecules and clusters: application to Li4 and Li5+

    Author(s): Weht R.O., Kohanoff J., Estrin D.A., Chakravarty C.,

    J. Chem. Phys., 108, No. 8848 (1998)

    Abstract


  2. Title: Solid Molecular Phases of Hydrogen via Constant-pressure First-principles Molecular Dynamics

    Author(s): Kohanoff J., Scandolo S.,

    Mat. Res. Soc. Proc. Symp., 499, No. 329 (1998)

    Abstract


  3. Title: Simple Molecular Systems at Very High Pressures: computer simulation studies

    Author(s): Chiarotti G.L., Ancilotto F., Bernasconi M., Bernard S., Cavazzoni C., Focher P., Kohanoff J., Parrinello M., Scandolo S., Serra S., Tosatti E.,

    Rev. High Pressure Sci. Technol., 7, No. 172 (1998)

    Abstract


  4. Title: Molecular dynamics simulation of the a-Al2O3 lattice: dynamic properties

    Author(s): Rambaut C., Jobic H., Jaffrezic H., Kohanoff J., Fayeulle S.,

    J. Phys.: Condens. Matter, 10, No. 4221 (1998)

    Abstract