Thomas S. Hofer
Orcid: 0000-0002-6559-1513Affiliations:
- University of Innsbruck, Austria
According to our database1,
Thomas S. Hofer
authored at least 13 papers
between 2004 and 2022.
Collaborative distances:
Collaborative distances:
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Bibliography
2022
Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds II: Optimized link bond parameters for density functional tight binding approaches.
J. Comput. Chem., 2022
2020
Cu2+ in liquid ammonia - The impact of solvent flexibility and electron correlation in ab initio quantum mechanical charge field molecular dynamics.
J. Comput. Chem., 2020
2018
Probing vibrational coupling via a grid-based quantum approach - an efficient strategy for accurate calculations of localized normal modes in solid-state systems.
J. Comput. Chem., 2018
2017
Conserving the linear momentum in stochastic dynamics: Dissipative particle dynamics as a general strategy to achieve local thermostatization in molecular dynamics simulations.
J. Comput. Chem., 2017
2015
Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds.
J. Comput. Chem., 2015
2011
Structure and dynamics of methanol in water: A quantum mechanical charge field molecular dynamics study.
J. Comput. Chem., 2011
2010
Hydrated germanium (II): Irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study.
J. Comput. Chem., 2010
2008
Structure and dynamics of phosphate ion in aqueous solution: An <i>ab initio</i> QMCF MD study.
J. Comput. Chem., 2008
2007
J. Comput. Chem., 2007
Tl(I)-the strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation study.
J. Comput. Chem., 2007
Quantum mechanical charge field molecular dynamics simulation of the TiO<sup>2+</sup> ion in aqueous solution.
J. Comput. Chem., 2007
2005
Structure-breaking effects of solvated Rb(I) in dilute aqueous solution - An ab initio QM/MM MD approach.
J. Comput. Chem., 2005
2004
Characterization of dynamics and reactivities of solvated ions by ab initio simulations.
J. Comput. Chem., 2004