| 000 | 02447nam a22004335i 4500 | ||
|---|---|---|---|
| 001 | 978-3-642-14067-9 | ||
| 003 | DE-He213 | ||
| 005 | 20140220084541.0 | ||
| 007 | cr nn 008mamaa | ||
| 008 | 100726s2010 gw | s |||| 0|eng d | ||
| 020 |
_a9783642140679 _9978-3-642-14067-9 |
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| 024 | 7 |
_a10.1007/978-3-642-14067-9 _2doi |
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| 050 | 4 | _aQC176-176.9 | |
| 072 | 7 |
_aPNFS _2bicssc |
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| 072 | 7 |
_aSCI077000 _2bisacsh |
|
| 082 | 0 | 4 |
_a530.41 _223 |
| 100 | 1 |
_aBartόk-Pártay, Albert. _eauthor. |
|
| 245 | 1 | 4 |
_aThe Gaussian Approximation Potential _h[electronic resource] : _bAn Interatomic Potential Derived from First Principles Quantum Mechanics / _cby Albert Bartόk-Pártay. |
| 264 | 1 |
_aBerlin, Heidelberg : _bSpringer Berlin Heidelberg : _bImprint: Springer, _c2010. |
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| 300 |
_aXIV, 90 p. _bonline resource. |
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| 336 |
_atext _btxt _2rdacontent |
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| 337 |
_acomputer _bc _2rdamedia |
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| 338 |
_aonline resource _bcr _2rdacarrier |
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| 347 |
_atext file _bPDF _2rda |
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| 490 | 1 |
_aSpringer Theses, Recognizing Outstanding Ph.D. Research, _x2190-5053 |
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| 505 | 0 | _aRepresentation of Atomic Environments -- Gaussian Process -- Interatomic Potentials -- Computational Methods -- Results -- Conclusion and Further Work -- Appendices. | |
| 520 | _aSimulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals. | ||
| 650 | 0 | _aPhysics. | |
| 650 | 1 | 4 | _aPhysics. |
| 650 | 2 | 4 | _aSolid State Physics. |
| 650 | 2 | 4 | _aTheoretical, Mathematical and Computational Physics. |
| 710 | 2 | _aSpringerLink (Online service) | |
| 773 | 0 | _tSpringer eBooks | |
| 776 | 0 | 8 |
_iPrinted edition: _z9783642140662 |
| 830 | 0 |
_aSpringer Theses, Recognizing Outstanding Ph.D. Research, _x2190-5053 |
|
| 856 | 4 | 0 | _uhttp://dx.doi.org/10.1007/978-3-642-14067-9 |
| 912 | _aZDB-2-PHA | ||
| 999 |
_c112402 _d112402 |
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