Realisations and projects

• 1. Data analysis
• 2. Science
• 3. Software used

- SANS data analysis (Didier Richard and Miguel A. González)
SANS_settings: LAMP interface for SANS data treatment (D11, D22, D16). Includes standard corrections. Isotropic and anisotropic data. Now working on including standard models to fit the data and writing a comprehensive manual.
- TOF-BS data analysis (Miguel A. González and Didier Richard)

Monte Carlo based approach (using McStas) to correct backscattering and time-of-flight data with LAMP. Computes and applies self-absorption and self-shielding corrections. Now working on creating an easy implementation, doing something about multiple scattering and writing a comprehensive manual.

- Molecular liquids and glasses:
 i. Ethanol + Propanol: Short explanation. References to Ph.D. Examples of DL_POLY files. Presentation.
 ii. Reentrant mixtures: 2-picoline/D2O and 3-picoline/D2O. Explanation. References. Examples of DL_POLY files. Presentation.
 iii. B2O3
 iv. Alkali borate glasses

- Confined liquids:
 i. H2 in MCM. References. DL_POLY files.

- Room temperature ionic liquids:
 i. Green solvents. Bachir Aoun Ph.D (Orleans-ILL)


- Plastic crystals and inclusion compounds:
 i. Thiourea: picture / Reference to JCP (if accepted) / dl_poly files.
 ii. Freon: Summary. M. D. Ruiz-Martín (post-doc)

- Model membranes:
 i. DMPC: V. Conti (laurea thesis).

- DL_POLY: Short explanation and link. Links to examples of files?
- VASP: Short explanation and link. Mark’s manual.
- nMoldyn
- Other useful software: MAPS, Materials Studio, GULP, Dynamo, Towhee, EPSR, RMCPOW