Main Page: Difference between revisions
No edit summary |
No edit summary |
||
| Line 6: | Line 6: | ||
''' On-going effort to tell you how me (Ana Vila Verde) and my research group spend our time.''' | ''' On-going effort to tell you how me (Ana Vila Verde) and my research group spend our time. ''' | ||
We use particle-based simulation methods to investigate the structure and dynamics of soft matter and of interfaces, both biological and inorganic. We have currently these areas of interest: fluorinated proteins, water and ions, and mechanical properties of proteins. We use mainly classical molecular dynamics or Monte Carlo methods and a variety of levels of description of matter (fixed-charge or polarizable all-atom, coarse-grained), with emphasis on advanced simulation techniques to enhance sampling of phase space thus allowing the calculation of thermodynamic observables such as relative free energies. | We use particle-based simulation methods to investigate the structure and dynamics of soft matter and of interfaces, both biological and inorganic. We have currently these areas of interest: fluorinated proteins, water and ions, and mechanical properties of proteins. We use mainly classical molecular dynamics or Monte Carlo methods and a variety of levels of description of matter (fixed-charge or polarizable all-atom, coarse-grained), with emphasis on advanced simulation techniques to enhance sampling of phase space thus allowing the calculation of thermodynamic observables such as relative free energies. | ||
Revision as of 10:51, 23 February 2021
The Soft Matter and Interfaces group
Dr. Ana Vila Verde (she)
On-going effort to tell you how me (Ana Vila Verde) and my research group spend our time.
We use particle-based simulation methods to investigate the structure and dynamics of soft matter and of interfaces, both biological and inorganic. We have currently these areas of interest: fluorinated proteins, water and ions, and mechanical properties of proteins. We use mainly classical molecular dynamics or Monte Carlo methods and a variety of levels of description of matter (fixed-charge or polarizable all-atom, coarse-grained), with emphasis on advanced simulation techniques to enhance sampling of phase space thus allowing the calculation of thermodynamic observables such as relative free energies.
Consult the User's Guide for information on using the wiki software.