Researcher Portfolio
Hutter, J.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society
Researcher Profile
Position: Former Departments, Max Planck Institute for Solid State Research, Max Planck Society
Researcher ID: https://pure.mpg.de/cone/persons/resource/persons281735
Publications
: Berghold, G., Parrinello, M., & Hutter, J. (2002). Polarized atomic orbitals for linear scaling methods. The Journal of Chemical Physics, 116(5), 1800-1810. [PubMan] : Geissler, P. L., Dellago, C., Chandler, D., Hutter, J., & Parrinello, M. (2001). Autoionization in liquid water. Science, 291, 2121-2124. [PubMan] : Rovira, C., Kunc, K., Hutter, J., & Parrinello, M. (2001). Structural and electronic properties of co-corrole, co-corrin, and co-porphyrin. Inorganic Chemistry, 40, 11-17. [PubMan] : Geissler, P. L., Dellago, C., Chandler, D., Hutter, J., & Parrinello, M. (2000). Ab initio analysis of proton transfer dynamics in (H2O)3H+. Chemical Physics Letters, 321, 225-230. [PubMan] : Berghold, G., Mundy, C. J., Romero, A. H., Hutter, J., & Parrinello, M. (2000). General and efficient algorithms for obtaining maximally localized Wannier functions. Physical Review B, 61, 10040-10048. [PubMan] : Simunek, A., Vackar, J., Kunc, K., & Hutter, J. (2000). Soft norm-conserving pseudopotential for carbon. The European Physical Journal B, 14, 245-249. [PubMan] : Mundy, C. J., Hutter, J., & Parrinello, M. (2000). Microsolvation and chemical reactivity of sodium and water clusters. Journal of the American Chemical Society, 122, 4837-4838. [PubMan] : Eichinger, M., Tavan, P., Hutter, J., & Parrinello, M. (1999). A hybrid method for solutes in complex solvents: density functional theory combined with empirical force fields. Journal of Chemical Physics, 110, 10452-10467. [PubMan] : Hutter, J. (1999). Large-scale first-principles simulations of chemical reactions. Speedup, 12, 4-8. [PubMan] : Lippert, G., Hutter, J., & Parrinello, M. (1999). The Gaussian and augmented-plane-wave density functional method for ab initio molecular dynamics simulations. Theoretical Chemistry Accounts, 103, 124-140. [PubMan] : Marx, D., Tuckerman, M. E., Hutter, J., & Parrinello, M. (1999). The nature of the hydrated excess proton in water. Nature, 397, 601-604. [PubMan] : Alavi, A., Hu, P., Deutsch, T., Silvestrelli, P. L., & Hutter, J. (1998). CO oxidation on Pt(111): an ab initio density functional theory study. Physical Review Letters, 80, 3650-3653. [PubMan] : Hartwigsen, C., Goedecker, S., & Hutter, J. (1998). Relativistic separable dual-space Guassian pseudopotentials from H to Rn. Physical Review B, 58, 3641-3644. [PubMan] : Termath, V., Haase, F., Sauer, J., Hutter, J., & Parrinello, M. (1998). Understanding the nature of water bound to solid acid surfaces.: Ab initio simulation on HSAPO-34. Journal of the American Chemical Society, 120, 8512-8516. [PubMan] : Frank, I., Hutter, J., Marx, D., & Parrinello, M. (1998). Molecular dynamics in low-spin excited states. Journal of Chemical Physics, 108, 4060-4069. [PubMan] : Rovira, C., Kunc, K., Hutter, J., Ballone, P., & Parrinello, M. (1998). A comparative study of O2, CO, and NO binding to iron-porphyrin. International Journal of Quantum Chemistry, 69, 31-35. [PubMan] : Berghold, G., Hutter, J., & Parrinello, M. (1998). Grid-free DFT implementation of local and gradient-corrected XC functionals. Theoretical Chemistry Accounts, 99, 344-346. [PubMan] : Rovira, C., Kunc, K., Hutter, J., Ballone, P., & Parrinello, M. (1997). Equilibrium geometries and electronic structure of iron-porphyrin complexes: A density functional study. Journal of Physical Chemistry A, 101, 8914-8925. [PubMan]