Click on titles below to download a pdf version of presentations or posters given at the ADDoPT Digital Design Showcase event held on 28th March 2019 at the Clayton Hotel, Chiswick.
Download all presentations (.zip file 36MB)
ADDoPT: A view from several perspectives - Andy Jones, Innovate UK (UKRI)
ADDoPT overview: Motivation, Scope & Systems-based Approach - Sean Bermingham, PSE
Overview of industrial case studies - Richard Storey, AZ
From a large dataset of crystal structures to understanding of the chemical space of pharmaceuticals - Andy Maloney, CCDC
Lattice energy predictions - Rebecca Mackenzie, STFC Hartree Centre
A DEM approach to prediction of flowability - James Elliott, University of Cambridge
Flowability of APIs in the context of continuous drug product manufacture - Mike Tobyn, BMS
First principles modelling for particle and process design - Kevin Roberts, University of Leeds
Mechanistic Model-based Digital Design framework for individual and integrated manufacturing steps - David Slade, PSE
Solid Drug Product and Process Design using Multi-Scale Interconnected Flowsheet Modelling and Global System Analysis - Marta Moreno-Benito, Pfizer
Visualising Digital Design Workflows - Rob Peeling & Charlie Gordon, Britest
Taking mechanistic models from R&D and Engineering into Operations - Andy Mitchell, PEL; Niall Mitchell, PSE
How process simulation can influence the control strategy of a Drug Substance asset - Flavien Susanne, GSK
Application of hybrid models for Advanced Process Control of a Twin Screw Wet Granulation Process - Gavin Reynolds, AZ
CrystalEyes: Enriching Particle Shape Information for Big Data Applications
Leeds ADDoPT overview
VisualHabit: Molecular Modelling of Crystals
Molecular dynamics simulations examining solute clustering in solution
Work Flow for Digital Design of Crystallisation Processes
Micro-mechanical properties of β-LGA needle-shaped organic crystals
The Effect of Settling on Cake Filtration Performance
An investigation of crystal breakage during pressure filtration
CFD modelling and analysis of particle drying in a lab-scale spray dryer
Effect of Particle Shape on The Particle Dynamics in Pin Mill
Formation of the unwanted API agglomerates in the TSG and CMT blenders
Prediction of powder flow behaviour under dynamic conditions
Numerical investigation of powder flowability using DEM and multi-sphere models
Numerical modelling of spray coating of pharmaceutical tablets
A Workflow for Particle Habit Modification: The Case of Lovastatin
A Strategy for the Polymorph and Morphology Controlling of Medium-sized Molecule: The Case of Ritonavir
Application of mechanistic models for the online control of crystallization process
Information Flow for Digital Design of Drug Product Processes
From Solid Form Modelling to Manufacturing and Performance
Understanding Dissolution Rate
Informatics approaches to solid form stability
Informatics approaches to particle properties
DL_Software as modelling and simulation solutions – atomistic, molecular and mesoscopic
DL_Software as an integrated software engine for drug-solvent interactions at atomic scales