Water adsorption at a sodium smectite clay surface: An ab initio study of the first stage
- Pascal Clausen
- Wanda Andreoni
- et al.
- 2009
- Journal of Physical Chemistry C
Publications
124 results for Alessandro Curioni
Hydrogen-bond enhanced thermal energy transport at functionalized, hydrophobic and hydrophilic silica-water interfaces
- Philipp A. E. Schoen
- Bruno Michel
- et al.
- 2009
- Chemical Physics Letters
Adsorption of low-molecular-weight molecules on a dry clay surface: an ab initio study
- Pascal Clausen
- Wanda Andreoni
- et al.
- 2009
- Journal of Physical Chemistry C
Ab initio simulation of the equation of state and kinetics of shocked water
- Nir Goldman
- Evan J. Reed
- et al.
- 2009
- Journal of Chemical Physics
A molecular approach to understanding complex systems: Computational statistical mechanics using state-of-the-art algorithms on terascale computational platforms
- C.J. Mundy
- R. Rousseau
- et al.
- 2008
- SciDAC 2008
Atomic wavefunction initialization in ab initio molecular dynamics using distributed Lanczos
- C. Bekas
- A. Curioni
- et al.
- 2008
- Parallel Computing
Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression
- Christopher J. Mundy
- Alessandro Curioni
- et al.
- 2008
- Journal of Chemical Physics
The binding domain of the HMGB1 inhibitor carbenoxolone: Theory and experiment
- Luca Mollica
- Alessandro Curioni
- et al.
- 2008
- Chemical Physics Letters
Metal-carbon nanotube contacts: The link between schottky barrier and chemical bonding
- Vincenzo Vitale
- Alessandro Curioni
- et al.
- 2008
- JACS
Overview of the IBM Blue Gene/P project
- Gheorghe Almasi
- Sameh Asaad
- et al.
- 2008
- IBM J. Res. Dev