- REACH: advise clients on path to compliance, prepare IUCLID dossiers, monitor performance of studies, coordinate response to ECHA decisions, prepare read-across justifications - Biocides: evaluate data requirements, prepare draft Risk Assessment Reports, communicate with Member State Competent Authorities, advise clients on requirements- Business Development: convert needs of clients in the chemical industry to services to be offered by a CRO- Process improvement: optimize internal processes for higher throughput and quality, and improved customer satisfaction- Substance expertise: monomers, polymers, fragrance materials (mono and multi-constituents, UVCBs), oleochemicals, pigments, inorganic materials

- REACH compliance consultancy - Assessment of substance identity and sameness criteria for natural complex substances Preparation of inquiry dossiers- Assessment, computation and reporting (QMRF, QPRF) of calculation methods (eg, QSARs, structure-based approaches) for regulatory purposes- Strategy, assessment of justification of alternatives to testing (read-across, category approaches)- Evaluation of available data- Project management of lead registration dossier preparation- Preparation of co-registration dossiers- Substance expertise: fragrance materials (mono- and multi-constituents, UVCBs), oleochemicals, oligomers and polymers

• Developed methods for the calculation of thermodynamic properties of mixtures and electrolytes using Kirkwood-Buff theory• Studied transport properties of CO2 in liquid crystals and amine solvents for carbon capture applications via molecular dynamics simulations

• Studied the phase transition behaviour and design parameters of polymer nanoparticles with supramolecular moieties by molecular dynamics and coarse-grained Monte Carlo simulations• Optimized the design of radiolabelled probes for the detection of angiotensin-converting enzyme activity in vivo through docking and molecular dynamics simulations • Supervised multiple bachelor and master students research projects

• Developed, validated and applied a computer program for the enumeration of virtual combinatorial libraries and scoring functions for protein-ligand docking• Part of the development team of Forecaster, a software suite for computer aided drug design used by multiple pharmaceutical companies and research groups all over the world• Performed a virtual screening of hepatitis C RNA polymerase inhibitors in collaboration with an industrial partner, finding two new active drug leads for further development• Carried out molecular dynamics simulations of platinum complexes binding to DNA G-quadruplexes as anticancer therapeutics, proposing a binding mode and relative activities within a series

• Performed literature searches, development, optimization and scale-up of new synthetic routes for APIs• Supervised and solved problems in chemical plant day-to-day work• Developed and applied analytical methods for raw materials, intermediate and final products