Computational and Experimental Chemistry Symposium – June 2020

Registration Link: https://forms.gle/EVAH38LZBAGXqC649

Introduction

You are warmly invited to attend the Computational and Experimental Chemistry Symposium. This Symposium comprises a series of online-lectures from 10 invited speakers that will be given in June using the Zoom platform and a live-streaming option on YouTube. Each lecture is for 30 minutes followed by a question/discussion session for additional 30 minutes. The Symposium is FREE.
 
We aim to bring together the computational simulation community and experimental researchers to show how they can exploit current state-of-the-art modelling, analytical, and numerical tools together with advanced experimental techniques to enhance their projects at the edge of both computational and experimental research. During the discussion session, participants will have a chance to talk to experienced academics and researchers from IBM to exchange knowledge and discuss their research problems in detail. After the Symposium, participants will have a clear understanding of how they can expand their research, what experimental and simulation tools they should use, and which questions they can answer using them.

Theme

The scope of the Symposium covers the field of quantum simulations (sub-atomistic scale), molecular dynamics and Monte-Carlo simulations (atomistic and molecular scale), molecular dynamics combined with fluid dynamics (mesoscale), process simulations (industrial scale). All these simulations will be considered along with related experiments. The major themes of the Symposium are adsorption on different surfaces, interfacial nanostructures, and their properties, synthesis and characterization of porous materials, interactions between different phases, optimization of chemical engineering processes, and more.

Audience

The Symposium is for Masters and Ph.D. students, post-doctoral researchers, academics, industry personnel, and anyone with an interest in computational and experimental techniques in application to material science, physical and chemical processes.
 
If you are:

  • an experimentalist, you will learn modelling methods that could help you understand the underlying phenomena.
  • a computational scientist, you will deeper understand modelling methods that you have already used or you will extend your knowledge to new methods.
  • a participant interested in numerical methods, you will learn how to handle and explain your experimental and/or simulation results.
  • a scientist curious about multi-scale simulations and relevant experiments describing physical and chemical processes, you will have an opportunity to learn the best practices from experienced researchers.

Preliminary Programme

SpeakerInstitutionTitleTimeDate
1Dr. Miguel JorgeUniversity of StrathclydeMultiscale modelling of porous materials17:0001.06.2020
2Prof. Carole MorrisonUniversity of EdinburghChallenges and opportunities in urban mining18:0001.06.2020
3Prof. Lev SarkisovUniversity of ManchesterBeyond molecular simulation: simple models to explore complex problems17:0003.06.2020
4Dr. Valentina ErastovaUniversity of EdinburghModelling dynamics in solids18:0003.06.2020
5Dmitry LapshinUniversity of EdinburghOn competitive nature of gas adsorption and absorption17:0005.06.2020
6Dr. Breanndan ConchuirIBM ResearchThe role of chemical heterogeneity on surfactant adsorption at solid-liquid interfaces18:0005.06.2020
7Dr. James McDonaghIBM ResearchExploring phase diagrams and predicting phase boundaries17:0008.06.2020
8Dr. Enrique GarciaHeriot-Watt UniversityData-driven design and synthesis of metal-organic frameworks for wet flue gas CO2 capture17:0010.06.2020
9Dr. Amir FarmahiniUniversity of ManchesterMultiscale simulation of PSA/VSA processes for post combustion carbon capture17:0012.06.2020
10Prof. Philip CampUniversity of EdinburghUnderstanding solid-liquid interfaces for industrial applications18:0012.06.2020
Zoom / YouTube / Recording
Without recording
Zoom Only

All times British Summer Time (UTC+1)

Key Highlights

  • The Symposium covers a wide range of topics at the edge of both simulations and experiments. We will draw direct connections between experiments and simulations;
  • The Symposium has research and educational elements: we will equip you with specific modeling, analytical, numerical tools required to run different scale simulations and interpret obtained results.
  • Meet academics from UK universities and researchers from the IBM Research, Daresbury Laboratory to exchange knowledge and discuss your research problems.
  • Venue: Zoom and The International Adsorption Society YouTube channel https://www.youtube.com/internationaladsorptionsociety
  • Date: June 2020
  • Register here: https://forms.gle/EVAH38LZBAGXqC649
  • The schedule will be released gradually over May and June on the International Adsorption Society website https://www.int-ads-soc.org/edinburgh-symposium-2020/

If you have any questions, please contact:

Dmitry N. Lapshin, AMRSC, AFHEA
School of Engineering
The University of Edinburgh,
Robert Stevenson Road,
EH9 3FB, Scotland, UK

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