ADDoPT Digital Design Showcase - Download Presentations

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

Digital Design - Molecular-Material level

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

Digital Design - Particle-Product level

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

Digital Design - Product-Process level

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

From Digital Design to Digital Operation

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

Modelling Crystallisation Processes through Integration of Crystal Growth Kinetics with Morphological Population Balance

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

Which Methods for Calculating Temperature Dependent Aqueous Solubilities and the Related Lattice Energies Work Best for Pharmaceutically Relevant Materials?

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