| EPSRC Reference: |
GR/L68520/01 |
| Title: |
AB-INITIO-DERIVED POTENTIALS FOR CONDENSED MATTER APPLICATIONS |
| Principal Investigator: |
Ackland, Professor GJ |
| Other Investigators: |
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| Project Partners: |
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| Department: |
Sch of Physics and Astronomy |
| Organisation: |
University of Edinburgh |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
15 February 1998 |
Ends: |
14 February 2001 |
Value (£): |
103,444
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Summary on Grant Application Form |
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The aim of this research programme is to employ the most reliable quantum mechanical simulation methods to derive accurate interaction potentials for use in larger scale simulations of physical properties and processes.To this end, we seek continuing support for our post-doctoral research assistant to sustain leading edge computer simulation activities in Edinburgh.We will concentrate on areas such as structural phase transitions and molecular physics where our group has a well-recognised track record. As a means of testing the transferability of these potentials and setting the context for their derivation we will concentrate on specific problems in high-pressure phase stability in prototype binary semiconductors, martensitic transformations as well as inter and intra molecular potentials.The majority of the workplan will be carried out with input and feedback from several UK beneficiaries from both industrial and academic sectors in fields which span mainstream solid state physics to molecular optoelectronics.The issues we plan to address in this project are closely related to ongoing experimental work in the Edinburgh department, in high crystallography, phase transitions and liquid crystal physics and device fabrication.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.ed.ac.uk |