https://ims.ut.ee/api.php?action=feedcontributions&feedformat=atom&user=Anti 2026-04-19T16:02:11Z User contributions MediaWiki 1.38.2 https://ims.ut.ee/index.php?title=User:Anti&diff=7553 2010-08-03T14:35:49Z

<p>Anti: </p> <hr /> <div>Contacts:<br /> [[Image:ajz.jpg|right]]<br /> <br /> * E-mail: anti_l[ätt]ut.ee; antiliivat[ätt]hotmail.com;<br /> * MSN: antiliivat<br /> * Skype: antiliivat<br /> <br /> [http://blueobelisk.sourceforge.net/wiki/ChemToolsMeet_March_08 Visualisation in Chemistry]<br /> <br /> [[Secure: Licathodes | Li-ion battery cathode materials]]<br /> <br /> [[Secure:NotYet| Li/Na Nafion forcefield development]]<br /> <br /> [[Secure:T7400| Dell Precision T7400]]<br /> <br /> [[Secure:skriptid| skriptid]]</div>

Anti https://ims.ut.ee/index.php?title=User:Arturt&diff=6593 2009-07-26T16:55:01Z

<p>Anti: /* Materjale */</p> <hr /> <div>=Artur Tamm=<br /> [[Image:Artur_Tamm.jpg]]<br /> <br /> == Tegevused ==<br /> [[Secure:VASP|VASPi kompileerimine erinevate &quot;flag&quot;idega]]<br /> <br /> [[Secure:Birch_Murnaghan_l2hendus|Birch-Murnaghani ruut lähendus]]<br /> <br /> [[Secure:Li2MnSiO4Au_modelleerimine|Li2MnSiO4 modelleerimine]]<br /> <br /> [[Secure:Li2FeSiO4_modelleerimine|Li2FeSiO4 modelleerimine]]<br /> <br /> [[Secure:LiFeSiO4_modelleerimine|LiFeSiO4 modelleerimine]]<br /> <br /> [[Secure:VASP_statistics|VASP'i statistika]]<br /> <br /> == Kontakt ==<br /> *e-mail: arturt@ut.ee<br /> *tel: 55579478<br /> <br /> == Materjale ==<br /> <br /> [[Secure:DFT-Theory | DFT teooria]]<br /> <br /> <br /> [[Secure:DFT-project | Projektiga seotud]]<br /> <br /> == Jaasile ==<br /> [[Võrrandite lahendid]]</div>

Anti https://ims.ut.ee/index.php?title=User:Arturt&diff=6591 2009-07-26T16:54:10Z

<p>Anti: /* Materjale */</p> <hr /> <div>=Artur Tamm=<br /> [[Image:Artur_Tamm.jpg]]<br /> <br /> == Tegevused ==<br /> [[Secure:VASP|VASPi kompileerimine erinevate &quot;flag&quot;idega]]<br /> <br /> [[Secure:Birch_Murnaghan_l2hendus|Birch-Murnaghani ruut lähendus]]<br /> <br /> [[Secure:Li2MnSiO4Au_modelleerimine|Li2MnSiO4 modelleerimine]]<br /> <br /> [[Secure:Li2FeSiO4_modelleerimine|Li2FeSiO4 modelleerimine]]<br /> <br /> [[Secure:LiFeSiO4_modelleerimine|LiFeSiO4 modelleerimine]]<br /> <br /> [[Secure:VASP_statistics|VASP'i statistika]]<br /> <br /> == Kontakt ==<br /> *e-mail: arturt@ut.ee<br /> *tel: 55579478<br /> <br /> == Materjale ==<br /> <br /> [[Secure:DFT-Theory | DFT teooria]]<br /> <br /> Kuulus Hohenberg-Kohni Teoreem: [[Media:Phys-Rev_1964_136_B864_Hohenberg_DFT.pdf|Inhomogeneous Electron Gas]] <br /> [http://dx.doi.org/10.1103/PhysRev.136.B864 doi]<br /> <br /> Kohn-Shami retsept DFT arvutusteks: [[Media:Phys-Rev_1965_140_A1133_Kohn_DFT-calc.pdf|Self-Consistent Equations Including Exchange and Correlation Effects]] <br /> [http://dx.doi.org/10.1103/PhysRev.140.A1133 doi]<br /> <br /> [[Media:J-Phys-Cond-Mat_1997_9_767_Anisimov_DFT-U.pdf|<br /> First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA+ U method]]<br /> [http://dx.doi.org/10.1088/0953-8984/9/4/002 doi]<br /> <br /> ''Perioodiliste kristalliarvutuste teooria:''<br /> <br /> [[Media:Phys-Rev-B_1994_50_17953_Blochl_DFT-PAW.pdf|Projector augmented-wave method ]] <br /> [http://dx.doi.org/10.1103/PhysRevB.50.17953 doi]<br /> <br /> [[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]] <br /> [http://dx.doi.org/10.1016/0927-0256(96)00008-0 doi]<br /> <br /> [[Media:Phys-Rev-B_1999_59_1758_Kresse_DFT-PAW.pdf|From ultrasoft pseudopotentials to the projector augmented-wave method]] <br /> [http://dx.doi.org/10.1103/PhysRevB.59.1758 doi]<br /> <br /> [[Media:Comp-Phys-Commun_2007_177_6_Hafner_VASP.pdf|Materials simulations using VASP--a quantum perspective to materials science]] <br /> [http://dx.doi.org/10.1016/j.cpc.2007.02.045 doi]<br /> <br /> [[Secure:DFT-project | Projektiga seotud]]<br /> <br /> ''Sisuline osa:''<br /> <br /> [[Media:cm801036k.pdf|Li2MnSiO4 artikkel, http://dx.doi.org/10.1021/cm801036k ]]<br /> <br /> [[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 ]]<br /> <br /> [[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 ]]<br /> <br /> [[Media:Ch7-Dependence-of-Diffusion-on-Temperature-and-Pressure.pdf| Elastsusomaduste definitsioonid, Raamat: http://dx.doi.org/10.1007/0-306-48395-5]]<br /> <br /> [[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 ]]<br /> <br /> [[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 ]]<br /> <br /> == Jaasile ==<br /> [[Võrrandite lahendid]]</div>

Anti https://ims.ut.ee/index.php?title=User:Arturt&diff=6589 2009-07-26T16:52:12Z

<p>Anti: /* Materjale */</p> <hr /> <div>=Artur Tamm=<br /> [[Image:Artur_Tamm.jpg]]<br /> <br /> == Tegevused ==<br /> [[Secure:VASP|VASPi kompileerimine erinevate &quot;flag&quot;idega]]<br /> <br /> [[Secure:Birch_Murnaghan_l2hendus|Birch-Murnaghani ruut lähendus]]<br /> <br /> [[Secure:Li2MnSiO4Au_modelleerimine|Li2MnSiO4 modelleerimine]]<br /> <br /> [[Secure:Li2FeSiO4_modelleerimine|Li2FeSiO4 modelleerimine]]<br /> <br /> [[Secure:LiFeSiO4_modelleerimine|LiFeSiO4 modelleerimine]]<br /> <br /> [[Secure:VASP_statistics|VASP'i statistika]]<br /> <br /> == Kontakt ==<br /> *e-mail: arturt@ut.ee<br /> *tel: 55579478<br /> <br /> == Materjale ==<br /> <br /> [[Secure:DFT-Theory | DFT teooria]]<br /> <br /> Kuulus Hohenberg-Kohni Teoreem: [[Media:Phys-Rev_1964_136_B864_Hohenberg_DFT.pdf|Inhomogeneous Electron Gas]] <br /> [http://dx.doi.org/10.1103/PhysRev.136.B864 doi]<br /> <br /> Kohn-Shami retsept DFT arvutusteks: [[Media:Phys-Rev_1965_140_A1133_Kohn_DFT-calc.pdf|Self-Consistent Equations Including Exchange and Correlation Effects]] <br /> [http://dx.doi.org/10.1103/PhysRev.140.A1133 doi]<br /> <br /> [[Media:J-Phys-Cond-Mat_1997_9_767_Anisimov_DFT-U.pdf|<br /> First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA+ U method]]<br /> [http://dx.doi.org/10.1088/0953-8984/9/4/002 doi]<br /> <br /> ''Perioodiliste kristalliarvutuste teooria:''<br /> <br /> [[Media:Phys-Rev-B_1994_50_17953_Blochl_DFT-PAW.pdf|Projector augmented-wave method ]] <br /> [http://dx.doi.org/10.1103/PhysRevB.50.17953 doi]<br /> <br /> [[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]] <br /> [http://dx.doi.org/10.1016/0927-0256(96)00008-0 doi]<br /> <br /> [[Media:Phys-Rev-B_1999_59_1758_Kresse_DFT-PAW.pdf|From ultrasoft pseudopotentials to the projector augmented-wave method]] <br /> [http://dx.doi.org/10.1103/PhysRevB.59.1758 doi]<br /> <br /> [[Media:Comp-Phys-Commun_2007_177_6_Hafner_VASP.pdf|Materials simulations using VASP--a quantum perspective to materials science]] <br /> [http://dx.doi.org/10.1016/j.cpc.2007.02.045 doi]<br /> <br /> <br /> ''Sisuline osa:''<br /> <br /> [[Media:cm801036k.pdf|Li2MnSiO4 artikkel, http://dx.doi.org/10.1021/cm801036k ]]<br /> <br /> [[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 ]]<br /> <br /> [[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 ]]<br /> <br /> [[Media:Ch7-Dependence-of-Diffusion-on-Temperature-and-Pressure.pdf| Elastsusomaduste definitsioonid, Raamat: http://dx.doi.org/10.1007/0-306-48395-5]]<br /> <br /> [[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 ]]<br /> <br /> [[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 ]]<br /> <br /> == Jaasile ==<br /> [[Võrrandite lahendid]]</div>

Anti https://ims.ut.ee/index.php?title=User:Arturt&diff=6365 2009-05-22T11:41:14Z

<p>Anti: /* Materjale */</p> <hr /> <div>=Artur Tamm=<br /> [[Image:Artur_Tamm.jpg]]<br /> <br /> == Tegevused ==<br /> [[Secure:VASP|VASPi kompileerimine erinevate &quot;flag&quot;idega]]<br /> <br /> [[Secure:Li2MnSiO4Au_modelleerimine|Li2MnSiO4Au modelleerimine ja tema võimalikud omadused]]<br /> <br /> [[Secure:Li2FeSiO4_modelleerimine|Li2FeSiO4 modelleerimine]]<br /> <br /> [[Secure:LiFeSiO4_modelleerimine|LiFeSiO4 modelleerimine]]<br /> <br /> [[Secure:VASP_statistics|VASP'i statistika]]<br /> <br /> == Kontakt ==<br /> *e-mail: arturt@ut.ee<br /> *tel: 55579478<br /> <br /> == Materjale ==<br /> <br /> ''DFT teooria:''<br /> <br /> Kuulus Hohenberg-Kohni Teoreem: [[Media:Phys-Rev_1964_136_B864_Hohenberg_DFT.pdf|Inhomogeneous Electron Gas]] <br /> [http://dx.doi.org/10.1103/PhysRev.136.B864 doi]<br /> <br /> Kohn-Shami retsept DFT arvutusteks: [[Media:Phys-Rev_1965_140_A1133_Kohn_DFT-calc.pdf|Self-Consistent Equations Including Exchange and Correlation Effects]] <br /> [http://dx.doi.org/10.1103/PhysRev.140.A1133 doi]<br /> <br /> [[Media:J-Phys-Cond-Mat_1997_9_767_Anisimov_DFT-U.pdf|<br /> First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA+ U method]]<br /> [http://dx.doi.org/10.1088/0953-8984/9/4/002 doi]<br /> <br /> ''Perioodiliste kristalliarvutuste teooria:''<br /> <br /> [[Media:Phys-Rev-B_1994_50_17953_Blochl_DFT-PAW.pdf|Projector augmented-wave method ]] <br /> [http://dx.doi.org/10.1103/PhysRevB.50.17953 doi]<br /> <br /> [[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]] <br /> [http://dx.doi.org/10.1016/0927-0256(96)00008-0 doi]<br /> <br /> [[Media:Phys-Rev-B_1999_59_1758_Kresse_DFT-PAW.pdf|From ultrasoft pseudopotentials to the projector augmented-wave method]] <br /> [http://dx.doi.org/10.1103/PhysRevB.59.1758 doi]<br /> <br /> [[Media:Comp-Phys-Commun_2007_177_6_Hafner_VASP.pdf|Materials simulations using VASP--a quantum perspective to materials science]] <br /> [http://dx.doi.org/10.1016/j.cpc.2007.02.045 doi]<br /> <br /> <br /> ''Sisuline osa:''<br /> <br /> [[Media:cm801036k.pdf|Li2MnSiO4 artikkel, http://dx.doi.org/10.1021/cm801036k ]]<br /> <br /> [[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 ]]<br /> <br /> [[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 ]]<br /> <br /> [[Media:Ch7-Dependence-of-Diffusion-on-Temperature-and-Pressure.pdf| Elastsusomaduste definitsioonid, Raamat: http://dx.doi.org/10.1007/0-306-48395-5]]<br /> <br /> [[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 ]]<br /> <br /> [[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 ]]</div>

Anti https://ims.ut.ee/index.php?title=File:J-Phys-Cond-Mat_1997_9_767_Anisimov_DFT-U.pdf&diff=6364 2009-05-22T11:40:25Z

<p>Anti: </p> <hr /> <div></div>

Anti