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Modelling & Simulation in Formulations – Programme

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Programme – 2022

UK Time 

Welcome 10.00 – Professor Flor Siperstein, University of Manchester

Session 1 – Chair -Prof Paola Carbone, University of Manchester

Break – 1115-1130

    1. 1130-1200 – Dr Sébastien Grégoire –  “In Silico Skin Penetration Modelling : A Cosmetic Europe Case Study. Results and Update.
    2. 1200-1230 – Sander van Loon – Digitalization of formulation R&D via science-based web-apps

Lunch 1230-1330

Session 2 – Chair – Dr Charlie Wand, University of Exeter / RSC-SMT

    1. 1330- 1400- Dr Mehdi D. Davari – Developing sustainable detergents through integration of computational modeling and protein engineering.
    2. 1400-1430 – Prof Ken Lewtas – Energetic material Formulations: The quest to bridge the gap between atomic and macro-scale by simulation
    3. 1430-1445 – Dr Joe Peterson Population Balances for Full-Chain Constitutive Models of Living Polymers

Break 1445-1500

Session 3 – Chair – Dr. Stephan Köhler, BASF SE

    1. 1500-1530 – Dr Brian Yoo – Pareto active learning for in silico polymer design
    2. 1530-1600 – Dr. Caroline M. Krauter – Formulation Design by Combining Automated Simulations and Machine Learning

Finish and thankyou – 1600 – Professor Flor Siperstein, University of Manchester

 

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