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| =Artur Tamm= | | =Artur Tamm= |
| [[Image:Artur_Tamm.jpg]] | | [[Image:Artur.jpg|300px]] |
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| == Tegevused == | | == Tegevused == |
| [[Secure:VASP|VASPi kompileerimine erinevate "flag"idega]]
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| [[Secure:Li2MnSiO4Au_modelleerimine|Li2MnSiO4 modelleerimine]] | | [[Artur_Tamm's_Publications|Publikatsioonid/Publications]] |
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| [[Secure:Li2FeSiO4_modelleerimine|Li2FeSiO4 modelleerimine]] | | [[Secure:DFT_and_VASP|DFT ja Vasp]] |
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| [[Secure:LiFeSiO4_modelleerimine|LiFeSiO4 modelleerimine]] | | [[Secure:Li_Cathodes|Li katoodid]] |
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| [[Secure:VASP_statistics|VASP'i statistika]] | | [[Secure:RADInterfaces|RADInterface projekt]] |
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| == Kontakt ==
| | [[Secure:Birch_Murnaghan_l2hendus|Birch-Murnaghani ruut lähendus]] |
| *e-mail: arturt@ut.ee
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| *tel: 55579478
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| == Materjale ==
| | [[Secure:Mannekeen_Artur|Mannekeeniga seonduv]] |
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| ''DFT teooria:''
| | [[Secure:Materials_Artur|Mitmesugused materjalid]] |
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| Kuulus Hohenberg-Kohni Teoreem: [[Media:Phys-Rev_1964_136_B864_Hohenberg_DFT.pdf|Inhomogeneous Electron Gas]]
| | [[Secure:ReadyNAS_config|ReadyNAS juhend]] |
| [http://dx.doi.org/10.1103/PhysRev.136.B864 doi]
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| Kohn-Shami retsept DFT arvutusteks: [[Media:Phys-Rev_1965_140_A1133_Kohn_DFT-calc.pdf|Self-Consistent Equations Including Exchange and Correlation Effects]]
| | [[Secure:Compute_Cluster_config|Compute Cluster]] |
| [http://dx.doi.org/10.1103/PhysRev.140.A1133 doi]
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| [[Media:J-Phys-Cond-Mat_1997_9_767_Anisimov_DFT-U.pdf|
| | == Kontakt == |
| First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA+ U method]]
| | *e-mail: artur.tamm.work@gmail.com |
| [http://dx.doi.org/10.1088/0953-8984/9/4/002 doi]
| | *tel: +37258603338 |
| | | *tel +15305514405 |
| ''Perioodiliste kristalliarvutuste teooria:''
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| [[Media:Phys-Rev-B_1994_50_17953_Blochl_DFT-PAW.pdf|Projector augmented-wave method ]]
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| [http://dx.doi.org/10.1103/PhysRevB.50.17953 doi]
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| [[Media:Comp-Mat-Sci_1996_6_15_Kresse_VASP-methos.pdf|Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set]]
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| [http://dx.doi.org/10.1016/0927-0256(96)00008-0 doi]
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| [[Media:Phys-Rev-B_1999_59_1758_Kresse_DFT-PAW.pdf|From ultrasoft pseudopotentials to the projector augmented-wave method]]
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| [http://dx.doi.org/10.1103/PhysRevB.59.1758 doi]
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| [[Media:Comp-Phys-Commun_2007_177_6_Hafner_VASP.pdf|Materials simulations using VASP--a quantum perspective to materials science]]
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| [http://dx.doi.org/10.1016/j.cpc.2007.02.045 doi]
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| ''Sisuline osa:''
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| [[Media:cm801036k.pdf|Li2MnSiO4 artikkel, http://dx.doi.org/10.1021/cm801036k ]]
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| [[Media:Phys-Rev-B_2006_73_104301_Ceder_DFT-LixFePO4-polarons.pdf|Polaron juhtivuse arvutamine LiFePO4-s, http://dx.doi.org/10.1103/PhysRevB.73.104301 ]]
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| [[Media:Phys-Rev-B_2006_74_ 094105_Ceder_Li-diffusion-cathodes.pdf|Li diffusiooni arvutamine LiMO2-s NEB meetodil, http://dx.doi.org/10.1103/PhysRevB.74.094105 ]]
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| [[Media:Ch7-Dependence-of-Diffusion-on-Temperature-and-Pressure.pdf| Elastsusomaduste definitsioonid, Raamat: http://dx.doi.org/10.1007/0-306-48395-5]]
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| [[Media:J-Appl-Phys_1998_84_4891_Eriksson_DFT-elastic-TiSi2.pdf| Elastsusomaduste arvutamine DFT meetoditega, teooria, http://dx.doi.org/10.1063/1.368733 ]]
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| [[Media:PRB_2006_73_174112_Ceder_DFT-LiFePO4-elastic.pdf| Elastsusomaduste arvutamine DFT meetoditega LiFePO4 jaoks, http://dx.doi.org/10.1103/PhysRevB.73.174112 ]]
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| == Jaasile ==
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| [[Võrrandite lahendid]]
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