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  • Projects
    • Artificial Intelligence / Machine Learning
      • Predicting Wave Height through Wave Spectra Partitions and Machine Learning
    • Astrophysics
      • Understanding the Dynamic Magnetic Field in the Solar Atmosphere
    • Bioinformatics
      • Acoustic Receivers: From Insect Ear to Next-Generation Sensor
      • Bioinformatics of Evolution, Microbiome Communities and Transcriptome Assembly
      • Coevolution of Host-Phages System
      • Modelling phytoplankton acclimation, diversity, and evolution using agent-based models
      • The genetic epidemiology of liver disease
    • Computational Chemistry
      • Biological Minimalism
      • Computationally Guided Ir(I) Catalyst Design for Hydrogen Isotope Exchange Reactions of Amino Acid and Peptide Molecules
      • Developing physics-based methods for predicting physico-chemical properties required in pharmaceutical drug discovery and manufacturing
      • Iridium-catalysed C-6 hydrogen isotope exchange of pyridines
      • Main Group Metal-Metal Bonds
      • Mechanistic Studies of Transition-Metal Mediated Catalysis
      • Mechanistic Studies on the Pauson-Khand Reaction
      • New Iridium-catalysed Methods for the Direct Preparation of Isotopically-labelled Compounds of Pharmaceutical Importance
      • Production of biofuels and bio-chemicals from solid waste
      • Reducing Molecular Search Spaces
      • Structure and Dynamics of Polystyrene Films Between Gold Surfaces: Effect of Tacticity
      • Studies of PVDF on surfaces
    • Computational Fluid Dynamics
      • An Investigation on Drag Reduction Capabilities of Dimpled Surfaces
      • Combustion Sub-Model Development Using High-Fidelity DNS Data
      • Complex Multi-Phase Fluid Dynamics Study in Micro-Scale Systems
      • Helicopter Multi-Block Code
      • High Resolution Compressible CFD simulations
      • High Speed Flow Chemistry Modelling
      • Meta-Modelling Approaches for Expensive Models
      • Multi-Scale Modeling of Heart Post-MI
      • Scalability and Applications of a DSMC Code
      • Ultra-lean and low NOx Hydrogen Combustion
    • Computational Fluid Dynamics in Marine Engineering
      • A CFD study on the narrow gap phenomenon at wind turbine docking operation
      • Computational Fluid Dynamics (CFD) for Dual-Fuel Marine Engines
      • CFD Modelling of Fouling and Biofouling Effect on Ship Hydrodynamic Performance
      • CFD Simulation for the Analysis of Ships Operating in Extreme Trim
      • CFD Simulations to Investigate the Effect of Retrofitting Technologies to Improve the Energy Efficiency of Bulk Carrier
      • Computational Marine Hydrodynamics
      • Control and / or Mitigation of the Turbulence Generated by Marine Control Surfaces
      • Crashworthiness Analysis of Ship Collisions and Groundings for Horizon 2020 FLARE Project WP3
      • Design of a Novel Riser System for Deep-water
      • Dynamics of a free-hanging riser
      • Evaluating the Structural Flexibility Effect on Ocean Energy Structures: A Study on Floating Offshore Wind Turbines (FOWTs) and Wave Energy Converters (WECs)
      • FSI Analysis of a Flexible Device Under VIV/Galloping Induced by Low Velocity Water Flow
      • Hydrodynamic Effect of Restricted Waters on Ships
      • Hydroacoustic Modelling of Underwater Noise
      • Hydrodynamics of High Performance Vessels Operating in Shallow Water
      • Hydrodynamic Properties of Complex Subsea Structures
      • Investigation of Fishing Vessel Operability for Various Loading Conditions
      • Modelling turbulent unsteady loading on a 2-bladed horizontal axis tidal stream turbine
      • Path-Following Control Problem Using CFD
      • Re-Designing of Modern Propellers with Biomimetic Leading-Edge Profiles
      • Studies of the wave interference and the wave-less vessel design
      • The Effects of Fouling Control Coatings and Heterogeneous Hull Roughness on Ship Resistance
      • The application of Biomimetic Tubercles on a Ship Hull
      • Unsteady RANS CFD simulations of ship maneuverability in waves
    • Computational Fluid Dynamics in Mechanical Engineering
      • CFD Simulation of Surge Onset in Centrifugal Compressors
      • Characterization of solid-liquid mixing in a continuous oscillatory baffled crystallizer using CFD
      • Computational Rheology
      • Enhancement of wet ammonia combustion with fuel cracking strategy
      • The CFD Development of Non-premixed Dual Fuel Combustion Diesel Engine injected by High-pressure Gas in the Cylinder Chamber
      • Transient Analysis of Safety Valves Using Fluid Structure Interaction Techniques
      • Improving Heat Transfer Performance Through Advanced Simulation Methods
      • Valve leak tightness
    • Computing Science
      • CAD-CFD Seamless Integration
      • FAIME: A Feature based Framework to Automatically Integrate and Improve Metaheuristics via Examples
      • Intelligent Decision Support and Control Technologies for Continuous Manufacturing and Crystallisation of Pharmaceuticals and Fine Chemicals – ICT-CMAC
      • Object Detection
      • Towards an Adaptive SBSE Based Approaches for Cloud Elasticity
      • Understanding Problem Difficulty in Heuristic Search
    • Digital Rendering
      • The Battle of Bannockburn
    • Earth and Space Science
      • Computational Thermochronology
      • PAOLA Space Experiment
      • Quantifying the Thermal Histories of Rocks Using the Helfrag Technique
    • Materials Science
      • Adsorption and Dimerization Studies of Rhodamine 6G
      • Biocomposite Design for Food Packaging
      • Chitosan Films
      • Computational Solid Mechanics
      • Damage Prediction in Ships and Offshore Structures
      • Effect of carbon fibres on polymer network formation
      • Integrated Modelling and Simulation of Laser Metal Deposition (LMD) for Additive Manufacturing
      • Inverse Design in Metal Oxides
      • Investigation of Dynamic Behaviour of Structures with Heterogeneous Materials
      • MD Simulation Study on Nanometric Cutting of Single Crystal Silicon at Elevated Temperatures
      • Mechanical Analysis of Cancellous Bone Architecture
      • Micro-Fracture of Cementitious Material
      • Numerical Modelling of the Friction Stir Welding Process
      • Optimization of Manufacturing Processes Through Multi-Scale Physics-Based Models
      • Predicting Fatigue Crack Initiation in Milled Aerospace-Grade Ti-6Al-4V Using CPFEM
      • Process-Structure-Property-Performance Modeling of Additively Manufactured Ti-6Al-4V
      • The Spreading Dynamics of Water Droplet on Textured Surfaces
      • Theoretical Investigation of the Electronic and Optical properties of Solar Cells Mater
    • Molecular Simulation of Biological Systems
      • Antimicrobial Effects of Monoglycerides on Lipid Membranes
      • Beta-Amyloid Adsorption
      • Fast and Accurate Predictions of Physical-Chemical Properties of Drug-Like Molecules
      • Interaction of Proteins with Solid Surfaces
      • MD Trajectory Pocket Analysis
      • Molecular Modelling of Complex Aqueous Brine Solutions
      • Spontaneous Membrane-Translocating Peptide Adsorption
      • The Effect of an Oil/Water Interface on the Nucleation Kinetics and Polymorphism of Glycine
      • The Effect of Surface Chemistry on Protein Adsorption – an Experimental and Simulation Study
    • Molecular Simulation for Engineering Applications
      • Interfacial Properties of Room-Temperature Ionic Liquids: Electrical Double Layer, RTILs&Nanomaterials and Applications
      • Molecular Dynamics of Thermocapillary flows
      • Reverse Osmosis Membrane Design Using Molecular Dynamics
      • Temperature Effects on Thermal Conductivity and Viscosity of Aqueous Solutions
    • Photonics, Plasma and Quantum Physics
      • ALPHA-X : Plasma Wakefield Acceleration
      • Magnetic Field Topology
      • Many-body Dynamics in Quantum Simulators
      • New Twists in the Diffraction of Intense Laser Light
      • Novel Methods for Short Wavelength Free Electron Lasers
      • Photoacustic Imaging
      • Relativistic Plasma Physics: Laser-Driven Radiation Sources and Ultra-High Field Physics
      • Semi-classical Monte-Carlo Simulations of Sub-Doppler Cooling in 40K
      • Ultra-intense Laser-Solid Interactions: Ion Acceleration and High Field Physics
    • Renewable Energy
      • A fully Automated Optimisation of a Fully Parametric Vessel for Real World Conditions
      • Fluid-Structure Interaction Analysis of a Multi-Bladed Tidal Turbine
      • Improving WEC Power Performance through Wave Channel Optimisation Approaches
      • Numerical Simulation of a Cylindrical Oscillating Water Column Type Wave Energy Device
      • Robust Design of Wind Turbines
      • SgurrEnergy
      • Simulation and Experimental Study of Wave-Passing and Seakeeping for Seatrains
      • The Application of the Gate Rudder to Small High Speed Craft within the Wind Farm Industry
    • Transportation in the Air-Space
      • Design and trajectory optimisation for space access systems
      • Low-Order Modelling of Unsteady Aerofoil and Wing Flows
      • Modelling and Optimisation of Aircraft Operations
      • Optimisation Algorithm for Space Trajectory Problems
      • Optimisation of a Ship Wind Assisted Propulsion System
      • Reduced Basis Modelling for Aircraft Aerodynamics
      • Rocket Plumes
      • StarDust
      • Trajectory Optimisation for Single-Stage-to-Orbit Vehicles
      • Transient CFD of flow physics and flow control in convoluted ducts
  • Documentation
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ARCHIE-WeSt

Molecular Modeling for Industrial Applications CPD

Training in Molecular Modelling and High Performance Computing

for Industrial Applications

Continuing Professional Development (CPD) Course

Department of Chemical and Process Engineering and the Department of Physics

University of Strathclyde, Glasgow, Scotland

6th – 10th June 2016

Course leaders: Prof. Maxim Fedorov and Dr Paul Mulheran, Directors of the West of Scotland Academia-Industry HPC Centre ARCHIE-WeSt

 

The application of molecular modelling and simulation techniques to complex systems has been growing in the last decade due to advances in software and parallel computing. This unique industrial training course will use tailored exemplars to help you start your own modelling project in the areas of Oil & Gas, Pharmaceutical, Colloids & Interfaces, or Food & Drink industries. You will be provided with model solutions of real world problems closely assisted by leading experts in their field from the University of Strathclyde, an industry-oriented internationally leading technological university, with partners including AstraZeneca, GlaxoSmithKline, Macphie, Rolls-Royce, Schlumberger, EDF, and Weir Group (among others).

The University of Strathclyde has:

  • the No 1 Physics Department in the UK and is the No 1 Scottish University (No 3 in the UK) on Knowledge Transfer Partnership (KTP) performance (more than  £40 million of KTP grants) through the West-of-Scotland KTP centre
  • invested £89M  on a Technology Innovation Centre (TIC),  focused on energy, future cities, health, and manufacturing
  • the ARCHIE-WeST supercomputer, which supports 98 PhD students and has 37 industry related projects with 35 Industrial partners
  • premium location in the heart of Glasgow, named by National Geographic as one of the ‘Best of the World‘ destinations in 2016, and one of Europe’s more vibrant cities.
.

Deliverables

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At the end of this course, you will be able to:

  • apply HPC and related modelling tools in your discipline
  • develop and execute HPC simulations and analyse results 
  • undertake further modelling work within your own projects

Morning sessions will provide the basic knowledge and understanding required for hands-on exercises that will take place in the afternoons. Organised by Prof Maxim Fedorov and Dr Paul Mulheran, the course builds on Strathclyde expertise in computer simulation led by Prof Dimitris Drikakis, Dr Paul Grassia, Dr Karen Johnston, Dr Miguel Jorge, Dr Leo Lue, Dr Demosthenes Kivotides, among others.

.

Course Schedule 

  • Day 1: general introduction to HPC, Linux and open source simulation tools
  • Days 2-4*: discovering the capabilities of simulation, visualisation and analysis tools using sets of practical examples in Oil & Gas, Pharmaceutics, and Colloids & Interface areas
  • Day 5: a one day workshop with
    • presentations from University/Industrial experts and
    • break-out sessions focussed on attendees’ needs for their own projects.

* tutorials supplemented by hands-on demonstration sessions geared towards sector-specific applications such as asphaltene aggregation, drug solubility, protein adsorption at interfaces.

For more information please email us at science-enquiries@strath.ac.uk

Pricing* (Book online at the University of Strathclyde Online Shop)

Early Registration After 30th April 2016
 Full Week £1900 exc. VAT £2000 exc. VAT
Subset of 4 days** £1650 exc. VAT £1750 exc. VAT
Day 5 (workshop) £600 exc. VAT £650 exc. VAT

There is an additional 5 % discount for second and subsequent delegates from the same organisation and 10 % for students 

Book online at the University of Strathclyde online shop.

* Excluding VAT: UK standard rate 20 %, EU rates between 17 and 25 % depending on country of origin, for other countries please refer to the online shop
** Starting on Tuesday the 7th of June

Apply Now

Apply for free evaluation accounts:
academic user / industry user
Submit new project requests:
Academic / Industry

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RSS Recent Publications

  • Understanding the pH-responsive behaviour of alkylamine surfactants July 31, 2025
  • Quantitative nanometrology of binary particle systems using fluorescence recovery after photobleaching: application to colloidal silica May 18, 2025
  • Hull form optimisation to minimise the total resistance and dynamic responses of small fishing vessels March 30, 2025
  • Binding energy calculations of anthracene and rhodamine 6G H-type dimers: a comparative study of DFT and SMD methods March 27, 2025
  • Uncovering the vibrational modes of zwitterion glycine in aqueous solution March 1, 2025
  • Development of a coarse-grained model for the early stages of ordered mesoporous silica formation February 21, 2025
  • Automated descriptors for high-throughput screening of peptide self-assembly January 28, 2025
  • Scale effects on ship vertical force and trim moment in calm water January 2, 2025
  • Numerical modelling of the effects of trim on a ship’s form factor and viscous resistance November 27, 2024
  • Numerical investigation of a point absorber wave energy converter integrated with vertical wall and latching control for enhanced power extraction September 26, 2024
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