Background and activities
Aleksandar Mehandzhiysk finished his Msc in computational chemistry in the Sofia Univeristy in October 2012 with master project titled “Theoretical study on the Claisen-Schmidt reaction for synthesis of chalcone”.Before starting his PhD at Ugelstad Laboratory he was employed by the Bulgarian academy of sciences, working on organics synthesis of biologically active compounds. He started his PhD in January 2013 under the supervision of Professor Brian Grimes. His project involves molecular modeling of carboxylic acid – metal ions interactions and selectivity, and molecular dynamics simulations of interfacialy active compounds at the water-oil interface.
Main fields of interest in molecular dynamics simulations, quantum chemistry.
Scientific, academic and artistic work
Displaying a selection of activities. See all publications in the database
- (2016) Calculation of the probability for ionic association and dissociation reactions by molecular dynamics and umbrella sampling. Molecular Physics. vol. 114 (11).
- (2015) Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids. Journal of Physical Chemistry A. vol. 119 (40).
- (2015) Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water. Journal of Physical Chemistry B. vol. 119 (33).
- (2014) Aggregates of poly-functional amphiphilic molecules in water and oil phases. Colloid Journal of the Russian Academy of Science. vol. 76 (5).
- (2014) Structure and Orientation of Tetracarboxylic Acids at Oil-Water Interfaces. Journal of Dispersion Science and Technology. vol. 35 (7).
- (2016) Multiscale Modelling of the Calcium Naphtenate Precipitaiton Reaction in Petroleum Processing. 2016. ISBN 978-82-326-1444-8.
- (2014) Multiscale modeling of interfacial mass transport in liquid-liquid dispersions: application to calcium naphthenate precipitation in petroleum transport processes. Twentieth International Symposium on Surfactants in Solution (SIS 2014) ; Coimbra. 2014-06-22 - 2014-06-27.