Shedding light on lithium/air batteries using millions of threads on the BG/Q supercomputer
- Valery Weber
- Costas Bekas
- et al.
- 2014
- IPDPS 2014
Publications
15 results for Valéry Weber
Conditional solvation thermodynamics of isoleucine in model peptides and the limitations of the group-transfer model
- Dheeraj S. Tomar
- Valéry Weber
- et al.
- 2014
- Journal of Physical Chemistry B
Solvation free energy of the peptide group: Its model dependence and implications for the additive-transfer free-energy model of protein stability
- Dheeraj S. Tomar
- D. Asthagiri
- et al.
- 2013
- Biophysical Journal
Regularizing binding energy distributions and the hydration free energy of protein cytochrome C from all-atom simulations
- Valéry Weber
- D. Asthagiri
- 2012
- JCTC
Communication: Regularizing binding energy distributions and thermodynamics of hydration: Theory and application to water modeled with classical and ab initio simulations
- Valéry Weber
- Safir Merchant
- et al.
- 2011
- Journal of Chemical Physics