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
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122 results for Alessandro Curioni
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
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
Overview of the IBM Blue Gene/P project
- Gheorghe Almasi
- Sameh Asaad
- et al.
- 2008
- IBM J. Res. Dev
Billion vortex particle direct numerical simulations of aircraft wakes
- Philippe Chatelain
- Alessandro Curioni
- et al.
- 2008
- Comput. Methods Appl. Mech. Eng.
A first principle study of terahertz (THz) spectra of acephate
- Y. Zhang
- X.-H. Peng
- et al.
- 2008
- Chemical Physics Letters
Ab initio derived augmented Tersoff potential for silicon oxynitride compounds and their interfaces with silicon
- Salomon R. Billeter
- Alessandro Curioni
- et al.
- 2006
- Physical Review B - CMMP