Theoretical and Computational Electrochemistry

This division of Electrochemistry employs theoretical and computational models to predict the electrochemical system behaviour and redesign the energy storage devices. The development of instrumental techniques necessitates the need for Computational tools for the data analysis. Too many options available for the choice of electrode, electrolyte and membrane separation materials makes it difficult to decide on the combination of the materials to be used while device fabrication. The density functional theory and molecular dynamics models are the simulation models used at nanoscale, while the finite element modelling can be used at a larger scale. First-principles computational methods can be used to study the energy landscape for intercalation and diffusion barriers of materials and thus provide new insights regarding ion transport phenomena, and explain electrochemical characteristics for the design of electrodes. The simulation models for the proton and electron transfer across the membrane in an electrochemical cell are Helmholtz model, Gouy-Chapman-Stern model, Helmholtz model, Tafel diagrams. The development of theoretical models and tools to account for the studies of coupling between charge transport and reactivity in porous films deposited on electrode surfaces.

  • Models of the electrochemical interphase
  • Molecular Dynamics Simulations of Ion Intercalation in Lithium Batteries
  • Modelling of Light Matter Interactions in Nano Electrochemistry

Related Conference of Theoretical and Computational Electrochemistry

July 17-18, 2018

World Congress on Nanomaterials and Nanotechnology

Prague, Czech Republic
May 14-15, 2018

4th International Conference and Expo on Ceramics and Composite Materials

Holiday Inn Rome Aurelia, Rome, Italy
June 04-05, 2018

4th Annual Conference on Biomaterials

Prague, Czech Republic
June 11-13, 2018

19th World Congress on Materials Science and Engineering

Tryp Barcelona Aeropuerto, Barcelona, Spain
June 25-26, 2018

20th International Conference on Emerging Materials and Nanotechnology

Vancouver, British Columbia, Canada
July 2-3, 2018

7th International conference on Smart Materials and Structures

Fleming’s Conference Hotel, Vienna, Austria
August 13-14 2018 , Finnstown Castle Hotel, Dublin, Ireland

20th International Conference on Advanced Energy Materials and Research

August 27-28, 2018

30th International Conference on Materials Chemistry & Science

- Toronto, Ontario, Canada
August 27-28, 2018 (World Energy Congress)

2nd International Conference on Energy Materials and Fuel Cell Research

Boston, Massachusetts, USA
September 04-06, 2018

21st International Conference on Advanced Materials & Nanotechnology

Zürich, Switzerland (Hotel Hilton Zurich Airport)
October 15-16, 2018

8th International Conference on Polymer Science and Engineering

Las Vegas, Nevada, USA
November 07-08, 2018

3rd International Conference on Applied Crystallography

Atlanta, Georgia, USA
November 22-23, 2018

International Conference on Biomarkers & Clinical Research

Bucharest, Romania

4th International Conference on Food Microbiology

March 20-21, 2019 New York, USA
February 18-20, 2019

16th Annual Congress on Materials Research and Technology

Amsterdam, Netherlands

Theoretical and Computational Electrochemistry Conference Speakers