Name: Current Trends in Theoretical Chemistry CTTC 9 - referat zaproszony Title: A critical evaluation of the hybrid KS DFT functionals based on the KS exchange-correlation potentials Co-authors: Vignesh Kumar, Szymon Śmiga Place: Kraków (2024-09-01 - 2024-09-05)
Name: Molecular Electronic Structure Conference MES 2024 Pescara - referat zaproszony Title: An evaluation of the hybrid KS DFT functionals based on the KS exchange-correlation potentials Co-authors: Vignesh Kumar, Szymon Śmiga Place: Pescara, Italy (2024-09-21 - 2024-09-25)
Name: Quantum Chemistry and Cheminformatics - referat zaproszony Title: A Comprehensive Assessment of the Hybrid Kohn-Sham DFT Functionals Co-authors: Vignesh Kumar, Szymon Śmiga Place: Rome, Italy (2024-09-26 - 2024-09-27)
2023
Conference:
Author: Ireneusz Grabowski
Name: Quantum International Frontiers QIF2023 - referat zaproszony Title: Orbital-Dependent Functionals in Kohn-Sham DFT - Practical Realization of ab initio DFT Place: Łódź , Poland (2023-06-21 - 2023-06-24)
Name: QUANTUM SYSTEMS IN CHEMISTRY, PHYSICS, AND BIOLOGY (QSCP-XXVI) - referat zaproszony Title: Assessment of the KS potentials and electron densities in KS-DFT Place: Jaipur, India (2023-10-15 - 2023-10-20)
2022
Conference:
Author: Ireneusz Grabowski
Name: Konferencja KU KDM 2022 - udział bierny Place: Kraków/wirtualna (2022-04-07 - 2022-04-08)
Name: Quantum Systems in Chemistry, Physics and Biology (QSCP) - inna forma uczestnictwa Place: Toruń (2022-06-19 - 2022-06-24)
2020
Conference:
Author: Ireneusz Grabowski
Name: 60th Sanibel Symposium: The Theory Meeting for Theoreticians - referat zaproszony Title: Orbital-Dependent Functionals in Kohn-Sham DFT - Practical Realization of ab initio KS-DFT Place: St. Simons Island, Ga, US (2020-02-16 - 2020-02-21)
Name: ICSD 2020, MARCH 1 - 4, 2020 STRUCTURE AND DYNAMICS OF MOLECULAR AND CONDENSED MATTER SYSTEMS (ICSD) 2020 - referat zaproszony Title: Accurate Ionization Potentials and Interaction Energy Curves Obtained from the Spin-Resolved Second-Order Approaches Co-authors: Szymon Śmiga Place: Puri, Odissa, India (2020-03-01 - 2020-03-04)
Name: Warsaw Molecular Electronic Structure Conference Warsaw - referat zaproszony Title: Accurate ionization potentials obtained from the spin-resolved secondorder approaches. From simple molecules to nanotubes Co-authors: Szymon Śmiga Place: Warsaw (2020-09-01 - 2021-09-04)
2019
Lecture at other centre:
Author: Ireneusz Grabowski
Name: Joint seminar of the Chair of Theoretical Chemistry and the Computer-Chemistry-Center in Erlangen - referat zaproszony Title: Spin Component Scaled MP2 - different parametrization for different properties. Place: Erlangen, Niemcy (2019-02-04 - 2019-02-04)
Conference:
Author: Ireneusz Grabowski
Name: XXIV International Workshop on Quantum Systems in Chemistry, Physics and Biology - referat zaproszony Title: Spin resolved second order approach different parametrization for different applications and properties. Co-authors: Szymon Śmiga Place: Odessa, Ukraina (2019-08-18 - 2019-08-24)
Name: Current Trends in Theoretical Chemistry VIII - referat zaproszony Title: Spin-resolved second-order approach – different parametrization for different properties Place: Kraków, Poland (2019-09-01 - 2019-09-05)
Name: Kujawsko-Pomorskie Forum Cyberbezpieczeństwa - referat zaproszony Title: Kopia bezpieczeństwa jak podstwowy element zabezpieczenia danych elektronicznych Place: Toruń, Poland (2019-11-27 - 2019-11-27)
2018
Conference:
Author: Ireneusz Grabowski
Name: 7th JCSSymposium, Quantum Chemistry, from Methodolgy to Applications. - referat zaproszony Title: Accurate ionization energies via an efficient spin-component-scaled ΔMP2 procedure. Co-authors: Sz. Śmiga, M. Witkowski Place: Prague, Czech Republic (2018-05-21 - 2018-05-24)
Name: 16-th Central European Symposium on Theoretical Chemistry - plakat Title: Accurate ionization potentials from SCS-Delta MP2 procedue Place: Srni, Czechy (2018-09-09 - 2018-09-12)
2017
Conference:
Author: Ireneusz Grabowski
Name: 17th International Conference on Density-Functional Theory and its Applications - referat Title: Optimized Effective Potential Method based on the Scaled–Opposite–Spin Second–Order Correlation Co-authors: Sz. Śmiga, E. Fabiano, F. Della-Sala Place: Tällberg (Dalarna) Sweden (2017-08-21 - 2017-08-25)
Name: CESTC 2017 - plakat Title: Accurate Kohn-Sham Ionization Potentials from Scaled-Opposite-Spin Second-Order Optimized Effective Potential Methods Co-authors: Sz. Śmiga, E. Fabiano, F. Della-Sala, A. Buksztel Place: Wisła, Polska (2017-09-03 - 2017-09-07)
Name: 44 Zjazd Fizyków Polskich - plakat Title: Correlation Potentials and Electron Densities from Correlated DFT, WFT and OEP Methods - what we can learn from them? Co-authors: Sz. Śmiga Place: Wrocław (2017-09-11 - 2017-09-15)
2016
Conference:
Author: Ireneusz Grabowski
Name: Sympozjum obliczeniowe metod ab initio - referat Title: Correlation Potentials and Electron Densities from Correlated DFT, WFT and OEP Methods - what we can learn from them? Place: Kraków, Poland (2016-02-29 - 2016-02-29)
Name: Current Trends in Theoretical Chemistry VII - referat zaproszony Title: Accurate non-covalent interaction energies and dissociation energy curves via an efficient MP2 scaling procedure Co-authors: E. Fabiano, F. Della Sala Place: Kraków (2016-09-04 - 2016-09-08)
Name: Current Topics in Theoretical Chemistry - referat zaproszony Title: Spin-component scaled MP2 – different parametrization for different problems Co-authors: E. Fabiano, F. Della Sala, S. Śmiga, M. Witkowski Place: Trujillo, Peru (2016-09-24 - 2016-09-30)
Name: 70 lat fizyki w Toruniu - Fizyka w gospodarce społeczeństwa opartego na wiedzy - Forum Dziekanów Wydziałów Fizyki i Dyrektorów Instytutów Fizyki - inna forma uczestnictwa Place: Instytut Fizyki UMK, Toruń (2016-11-25 - 2016-11-26)
2015
Conference:
Author: Ireneusz Grabowski
Name: Sanibel Symposium - referat zaproszony Title: Optimized Effective Potential Method based on the Scaled–Opposite–Spin Second–Order Correlation Co-authors: F. Dela Salla, E. Fabiano, S. Śmiga, A. Buksztel Place: St. Simons Island (2015-02-15 - 2015-02-20)
Name: Workshop on "Advances in electronic structure theory" - referat zaproszony Title: Orbital-dependent second-order scaled-opposite-spin correlation functional in the optimized effective potential method Co-authors: F. Dela Salla, E. Fabiano, S. Śmiga, A. Buksztel Place: UMPC Paris (2015-04-27 - 2015-04-29)
Name: RAEST2015 - Recent Advances in Electronic Structure Theory - referat zaproszony Title: Spin resolved second order correlation functional in KS DFT. Co-authors: F. Dela Salla, E. Fabiano, S. Śmiga, A. Buksztel Place: Nanjing, China (2015-06-01 - 2015-06-06)
Name: Modelling and Design of Molecular Materials - referat Title: Simple non–empirical procedure for spin–component–scaled MP2 methods applied to the calculation of dissociation energy curve of noncovalently–interacting systems Co-authors: E.Fabiano, F. Della Sala Place: Kudowa-Zdrój, Poland (2014-06-29 - 2014-07-03)
Name: 3 Konferencja naukowa: .Wirtualna rzeczywistość a uwarunkowania formalno-prawne rachunkowo-podatkowe i ochrona danych osobowych - referat zaproszony Title: Kopia bezpieczeństwa danych elektronicznych jako podstawowy element Systemu Zarządzania Bezpieczeństwem Informacji w Firmie Co-authors: Barbara Kamińska Place: Brodnica (2014-06-13 - 2014-06-13)
Name: Molecular Electronic Structure Workshop Amasya - referat zaproszony Title: Optimized Effective Potential Method based on the Scaled–Opposite–Spin Second–Order Correlation Co-authors: F Della Sala, E. Fabiano, S. Śmiga, A. Buksztel Place: Amasya, Turkey (2014-09-01 - 2014-09-05)
Lecture at other centre:
Author: Ireneusz Grabowski
Name: Laboratoire de Chimie Théorique group seminar - referat zaproszony Title: Correlation potentials and electron densities in KS-DFT Place: UPMC Sorbonne Universités Paris (2014-05-19 - 2014-05-19)
Name: Laboratoire de Chimie Théorique group seminar - referat zaproszony Title: Optimized effective potential method based on spin-resolved components of the second-order correlation energy in DFT Place: UPMC Sorbonne Universités Paris (2014-05-20 - 2014-05-20)
2013
Conference:
Author: Ireneusz Grabowski
Name: 7th Molecular Quantum Mechanics Conference - plakat Title: Optimized effective potential method based on spin-resolved components of the second-order correlation energy in density functional theory Co-authors: E. Fabiano, F. Della Sala, S. Smiga, A. Buksztel Place: Lugano, Szwajcaria (2013-06-02 - 2013-06-07)
Name: 15th International Conference on Density Functional Theory and its Applications - plakat Title: Optimized Effective Potential Method based on the Scaled–Opposite–Spin Second–Order Correlation Co-authors: E. Fabiano, F. Della Sala Place: Durham, Englad (2013-09-09 - 2013-09-13)
Name: Current Trends in Theoretical Chemistry VI - referat Title: Optimized Effective Potential Method based on the Scaled–Opposite–Spin Second–Order Correlation Co-authors: E. Fabiano, F. Della Sala Place: Kraków, Poland (2013-09-01 - 2013-10-11)
Name: Central European Symposium on Theoretical Chemistry 2013 - referat zaproszony Title: Simple non–empirical procedure for spin–component–scaled MP2 methods applied to the calculation of dissociation energy curve of noncovalently–interacting systems Co-authors: E. Fabiano, F. Della Sala Place: Znojmo, Czechy (2013-09-22 - 2013-09-25)
2012
Conference:
Author: Ireneusz Grabowski
Name: Kathmandu 2012 Workshop on Theoretical Chemistry. Atoms, Molecules and Solids: Models and Concepts. - referat zaproszony Title: Correlation potentials and electron densities in KS-DFT - what we can learn from them? Place: Kathmandu, Nepal (2012-04-30 - 2012-05-04)
Name: Molecular Electronic Structure at Troy - referat zaproszony Title: Correlation potentials and electron densities from correlated DFT, WFT and OEP Place: Canakkale, Turkey (2012-09-09 - 2012-09-13)
Lecture at other centre:
Author: Ireneusz Grabowski
Name: Istituto Nanoscienze-CNR Seminar - referat zaproszony Title: Optimized Effective Potential Method Place: Istituto Nanoscienze-CNR, NNL-Lecce & Center for Biomolecular Nanotechnologies, Italian Institute of Technology (2012-07-18 - 2012-07-18)
Name: Italian Institute of Technology seminar - referat zaproszony Title: Efficient Derivation of Correlated Optimized Effective Potential Method Place: Istituto Nanoscienze-CNR, NNL-Lecce & Center for Biomolecular Nanotechnologies, Italian Institute of Technology (2012-08-29 - 2012-08-29)
2011
Conference:
Author: Ireneusz Grabowski
Name: HITY 2011 - Zastosowanie teorii w badaniach molekularnych - referat Title: Potencjały korelacyjne i gęstości elektronowe w metodach DFT i WFT Place: Kraków (2011-05-18 - 2011-05-20)
Name: 14th International Density Functional Theory Conference, Applications in Physics, Chemistry, Biology, Pharmacy - referat zaproszony Title: Correlation potentials and electron densities obtained from correlated Optimized Effective Potential methods. Place: Athens, Greece (2011-08-29 - 2011-09-02)
Name: Finanse i Rachunkowość w Zarzadzaniu współczesnym przedsiębiorstwem - teoria i praktyka - referat Title: Bezpieczeństwo danych elektronicznych w przedsiębiorstwie. Place: Brodnica, Polska (2011-09-15 - 2011-09-16)
Name: Central European Symposium on Theoretical Chemistry - CESTC 2011 - inna forma uczestnictwa Place: Toruń, Poland (2011-09-25 - 2011-09-28)
2010
Conference:
Author: Ireneusz Grabowski
Name: 50th Sanibel Symposium - plakat Title: Covering of the correlation effects by the DFT functionals. Place: St. Simons Island, GA, USA (2010-02-24 - 2010-03-02)
Name: Central European Symposium on Theoretical Chemistry - CESTC 2010 - plakat Title: Correlation potentials and electron densities obtained from correlated Optimized Effective Potential method and ab initio Wave Function Theory methods Co-authors: I. Grabowski, A. Teale, Sz. Smiga, K. Jankowski Place: Novy Smokovec, Slovakia (2010-09-12 - 2010-09-15)
Name: Conference on Relativistic Effects in Heavy Elements REHE-2010 - plakat Title: Correlation potentials obtained from correlated Optimized Effective Potential method and ab initio Wave Function Theory methods Co-authors: I. Grabowski, A. Teale, Sz. Smiga, Place: Beijing, China (2010-09-25 - 2010-09-29)
Lecture at other centre:
Author: Ireneusz Grabowski
Name: QTP Group Seminar - referat zaproszony Title: Ab intio WFT, OEP and DFT correlation potentials and densities. Place: Quantum Theory Project, University of Florida, Gainesville, FL, USA (2010-03-05 - 2010-03-05)
2009
Conference:
Author: Ireneusz Grabowski
Name: 13th International Congress of Quantum Chemistry, Helsinki, Finland - plakat Title: Coverage of dynamic correlation effects by DFT functionals: Density-based analysis for atoms. Co-authors: K. Jankowski, I. Grabowski, K. Nowakowski Place: Helsinki, Finland (2009-06-22 - 2009-06-27)
Name: Central European Symposium on Theoretical Chemistry CESTC 2009 - referat Title: Coverage of dynamic correlation effects by DFT functionals: Density-based analysis for atoms Place: Dobogoko, Hungary (2009-09-25 - 2009-09-28)
Name: Wirtualna Konferencja dla studentów i doktorantów uczelni polskich - Zaawansowane technologie przyszłością Polski w Unii Europejskiej - referat zaproszony Title: Centrum Optyki Kwantowej w Toruniu Place: WWW (2009-04-02 - 2009-05-29)
2008
Conference:
Author: Ireneusz Grabowski
Name: Current Trends in Theoretical Chemistry - CTTC V - referat zaproszony Title: Orbital-dependent correlation functionals in DFT Place: Kraków, Poland (2008-07-06 - 2008-07-10)
Name: 7-th Central European Symposium on Theoretical Chemistry, CESTC 2007 - plakat Title: Orbital-dependent second-order correalation functionals in KS-DFT Place: Hejnice, Czech Republic (2008-09-28 - 2008-10-01)
Name: XIV European Seminar on Computational Methods in Quantum Chemistry - plakat Title: Orbital-dependent second-order correalation functionals in KS-DFT Place: Isola d'Elba, Italy (2008-10-02 - 2008-10-06)
Lecture at other centre:
Author: Ireneusz Grabowski
Name: Wydziałowe Seminarium Fizyczne Politechniki Gdańskiej - referat zaproszony Title: Zależne od orbitali funkcjonały i potencjały korelacyjno-wymienne w teorii funkcjonałów gęstości (DFT) Place: Politechnika Gdańska, Gdańsk (2008-11-28 - 2008-11-28)
2007
Conference:
Author: Ireneusz Grabowski
Name: 6-th Central European Symposium on Theoretical Chemistry, CESTC 2007 - referat Title: Ab initio DFT applied to quasi-degenerate systems. Place: Litschau, Austria (2007-09-23 - 2007-10-26)
Name: Symposium on Advanced Methods of Quantum Chemistry and Physics SAMQCP 2007 - inna forma uczestnictwa Place: Toruń, Poland (2007-09-02 - 2007-09-06)
Name: NANOQUANT Meeting Warsaw 2007 - udział bierny Place: Warszawa (2007-02-16 - 2007-02-17)
2006
Conference:
Author: Ireneusz Grabowski
Name: Central European Symposium on Theoretical Chemistry 2006 - plakat Title: Different orbital-dependent second-order correlation potentials in ab initio Density Functional Theory Place: Zakopane (2006-09-24 - 2006-09-27)
2005
Conference:
Author: Ireneusz Grabowski
Name: Orbital Functionals for Exchange and Correlation The Optimized Effective Potential and Related Methods - Workshop - referat Title: New orbital dependent correlation potentials in OEP DFT Place: Berlin, Germany (2005-03-11 - 2005-03-13)
Name: Pomeranian Quantum Chemistry and Physics Workshop Electronic Structure of Atoms and Molecules, - referat zaproszony Title: Orbital dependent correlation potentials in ab initio dft - theory and new results. Place: Pobierowo, Poland (2005-05-12 - 2005-05-15)
Name: Strasbourg Seminar -13th European Seminar on Computational Methods in Quantum Chemistry - referat zaproszony Title: Accurate orbital-dependent correlation and exchange-correlation potentials from non-iterative ab initio dft calculations Place: Smolenice, Slovakia (2005-09-21 - 2005-09-25)
Name: DFT-2005 -11th International Conference on the Applications on Density Functional Theory in Chemistry and Physics - plakat Title: Accurate orbital-dependent correlation and exchange-correlation potentials from non-iterative ab initio dft caclulations Place: Geneva, Switzerland (2005-09-11 - 2005-09-15)
