J. Hutter

发表

Relativistic separable dual-space Gaussian pseudopotentials from H to Rn

S. Goedecker, C. Hartwigsen, J. Hutter, 1998, cond-mat/9803286.

Autoionization in Liquid Water

C. Dellago, M. Parrinello, D. Chandler, 2001, Science.

Relativistic separable dual-space Gaussian pseudopotentials from H to Rn

S. Goedecker, C. Hartwigsen, J. Hutter, 1998, cond-mat/9803286.

Second generation Car-Parrinello MD: application to the h-BN/Rh(111) nanomesh

J. Hutter, S. Caravati, T. Musso, 2018, The European Physical Journal B.

First-principles correction scheme for linear-response time-dependent density functional theory calculations of core electronic states.

J. Hutter, Augustin Bussy, 2021, The Journal of chemical physics.

Theoretical and computational aspects of the nonlinear-optical properties of molecules and molecular clusters

J. Hutter, G. Wagnière, 1989 .

Mapping the Free Energy of Lithium Solvation in the Protic Ionic Liquid Ethylammonuim Nitrate: A Metadynamics Study.

T. Laino, J. Hutter, M. Carignano, 2017, ChemSusChem.

A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory.

J. Hutter, M. Iannuzzi, Anna-Sophia Hehn, 2023, The Journal of chemical physics.

Water dissociation on pristine low-index TiO2 surfaces

J. Hutter, Bingqing Cheng, Frederick Stein, 2023, 2303.07433.

Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods

J. Hutter, S. Chulkov, M. Watkins, 2022, Journal of chemical theory and computation.

Sparse tensor based nuclear gradients for periodic Hartree-Fock and low-scaling correlated wave function methods in the CP2K software package: A massively parallel and GPU accelerated implementation.

J. Hutter, O. Schütt, Augustin Bussy, 2023, The Journal of chemical physics.

Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms

J. Hutter, Hans Pabst, S. Mohr, 2021, Parallel Comput..

Separable dual-space Gaussian pseudopotentials.

M. Teter, Teter, Goedecker, 1995, Physical review. B, Condensed matter.

Molecular Dynamics Simulation of Liquid Water: Hybrid Density Functionals†

A. Seitsonen, J. Hutter, I. W. Kuo, 2006 .

Molecular dynamics simulation of liquid water: hybrid density functionals.

Teodora Todorova, Jürg Hutter, Christopher J Mundy, 2006, The journal of physical chemistry. B.

Double-hybrid density functionals for the condensed phase: Gradients, stress tensor, and auxiliary-density matrix method acceleration.

J. Hutter, Frederick Stein, 2022, The Journal of chemical physics.