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Title Accurate nonlinear optical properties of solvated para-nitroaniline predicted by an electrostatic discrete local field approach Author info Tomáš Hrivnák, Heribert Reis ... [et al.] Author Hrivnák Tomáš (35%)
Co-authors Reis Heribert (25%)
Neogrády Pavel (10%)
Zaleśny Robert 1977- (10%)
Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
Source document The Journal of Physical Chemistry B. Vol. 124, no 45 (2020), pp. 10195-10209. - Washington : The American Chemical Society, 2020 Keywords nonlinear optical properties electrostatic field new approaches Form. Descr. články - journal articles Language English Country United States of America URL Link na plný text Public work category ADC No. of Archival Copy 48874 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
article
Title Úvod do paralelného programovania Author info Miroslav Melicherčík, Michal Pitoňák, Pavel Neogrády; rec. Penka Martincová, Michal Čerňanský Author Melicherčík Miroslav 1984- (50%) UMBFP05 - Katedra informatiky
Co-authors Pitoňák Michal (35%)
Neogrády Pavel (15%)
Another authors Martincová Penka (Recenzent)
Čerňanský Michal (Recenzent)
Issue data Banská Bystrica : Vydavateľstvo Univerzity Mateja Bela - Belianum , 2019. - 176 s. Issue 1. vyd. ISBN 978-80-557-1659-6 Keywords paralelné programovanie - parallel programming dekompozícia efektívnosť - efficiency MPI OpenMP CUDA informatika - informatics Form. Descr. učebnice vysokých škôl - textbooks (higher) Language Slovak Country Slovak Republic Public work category ACB No. of Archival Copy 47184 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ 
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Title Úvod do paralelného programovania Author info Miroslav Melicherčík, Michal Pitoňák, Pavel Neogrády Author Melicherčík Miroslav 1984-
Co-authors Pitoňák Michal
Neogrády Pavel
Issue data Banská Bystrica : Vydavateľstvo Univerzity Mateja Bela - Belianum , 2019. - 165 s. : il., tab., 25 cm Issue 1. vyd. ISBN 978-80-557-1659-6 Note Bibliografia. Register Keywords paralelné programovanie - parallel programming dekompozícia efektívnosť - efficiency MPI OpenMP CUDA decomposition effectiveness Form. Descr. učebnice vysokých škôl - textbooks (higher) Language Slovak Country Slovak Republic systematics 004.42.032.24 004.43 URL Plný text dostupný vo Virtuálnej študovni UMB Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xkni - BOOKS Copy count 11, currently available 8, at library only 2 
unrecognised
Call number Location Sublocation Umiestnenie Info 375249 Univerzita Mateja Bela Universal reading room In-Library Use Only 375250 Univerzita Mateja Bela Department of absent lending 375251 Univerzita Mateja Bela Department of absent lending vypož. (until 14.06.2024) 375252 Univerzita Mateja Bela Department of absent lending 375253 Univerzita Mateja Bela Department of absent lending 375254 Univerzita Mateja Bela Department of absent lending 375255 Univerzita Mateja Bela Department of absent lending 375256 Univerzita Mateja Bela Department of absent lending 375257 Univerzita Mateja Bela Department of absent lending 375258 Univerzita Mateja Bela Department of absent lending 375259 Univerzita Mateja Bela Department of computer science In-Library Use Only Title Off-center Gaussian functions: Applications toward larger basis sets, post-second-order correlation treatment, and truncated virtual orbital space in investigations of noncovalent interactions Author info Miroslav Melicherčík ... [ et al.] Author Melicherčík Miroslav 1984- (25%) UMBFP05 - Katedra informatiky
Co-authors Suchá Denisa 1990- (25%)
Neogrády Pavel (25%)
Pitoňák Michal (25%)
Source document International Journal of Quantum Chemistry. Vol. 118, no. 14 (2018), pp. 1-14. - Hoboken : Wiley-Blackwell, 2018 Keywords metódy spriahnutých klastrov atómové orbitály - atomic orbitals nekovalentné interakcie mriežka mimocentrovaných bázových funkcií Language English Country United States of America systematics 54 URL Link na plný text Public work category ADC No. of Archival Copy 43103 Repercussion category KODRYCKA, Monika - PATKOWSKI, Konrad. Platinum, gold, and silver standards of intermolecular interaction energy calculations. In Journal of chemical physics. ISSN 0021-9606, 2019, vol. 151, no. 7, pp.
LEHTOLA, Susi. A review on non-relativistic, fully numerical electronic structure calculations on atoms and diatomic molecules. In International journal of quantum chemistry. ISSN 0020-7608, 2019, vol. 119, no. 19, pp. 1-31.
LEHTOLA, Susi. Curing basis set overcompleteness with pivoted Cholesky decompositions. In Journal of chemical physics. ISSN 0021-9606, 2019, vol. 151, no. 24.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
Title Analysis of education requirements for future high performance computing users Author info Miroslav Melicherčík ... [et al.] Author Melicherčík Miroslav 1984- (40%) UMBFP05 - Katedra informatiky
Co-authors Huraj Ladislav (15%)
Pitoňák Michal (15%)
Siládi Vladimír 1970- (15%) UMBFP05 - Katedra informatiky
Neogrády Pavel (15%)
Source document Applied natural sciences 2017 : conference proceedings of the 6th biennial international scientific conference, September 27-29, 2017, Jasná. Pp. 80-84. - Trnava : University of SS. Cyril and Methodius, 2017 / Boča Roman ; Bousseksou Azzedine ; Pereira Mauro Fernandes ; Ivanovič Miloš ; Janoš Pavel ; Kraic Ján ; Krajčovič Juraj ; Lesný Juraj ; Marček Chorvátová Alžbeta ; Miertuš Stanislav ; Pospíchal Jiří ; Renz Franz ; Smékalová Lucie ; Sýkora Peter ; Valigura Dušan ; ANS 2017 medzinárodná vedecká konferencia Keywords vzdelávanie - education HPC paralelné programovanie - parallel programming Language English Country Slovak Republic systematics 37 Public work category AFD No. of Archival Copy 40393 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References (1) - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Noncovalent interaction investigations using off-center gaussian functions: post-second-order correlation treatment Author info Miroslav Melicherčík, Pavel Neogrády, Michal Pitoňák Author Melicherčík Miroslav 1984- (34%) UMBFP05 - Katedra informatiky
Co-authors Neogrády Pavel (33%)
Pitoňák Michal (33%)
Source document CESTC 2015 : 14th Central European symposium on theoretical chemistry, Banská Bystrica, Slovakia, September 6-9, 2015 : book of abstracts. S. 66. - Banská Bystrica : Univerzita Mateja Bela, Fakulta prírodných vied, 2015 / Medveď Miroslav 1971- ; Melicherčík Miroslav 1984- ; Budzák Šimon 1982- ; CESTC 2015 stredoeurópske sympózium Keywords nekovalentné interakcie generovanie gridov funkcie bázy noncovalent interactions grid generation basis set functions Language English Country Slovak Republic Public work category AFH No. of Archival Copy 33706 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title CCSD(T) calculations of stabilities and properties of confined systems Author info Filip Holka ... [et al.] Author Holka Filip (20%)
Co-authors Urban Miroslav (20%)
Melicherčík Miroslav 1984- (20%) UMBFP05 - Katedra informatiky
Neogrády Pavel (20%)
Paldus Josef (20%)
Source document International Conference of Computational Methods in Sciences and Engineering ICCMSE 2010 : proceedings of the international conference of computational methods in sciences and engineering. Vol. 1642 (2015), pp. 35-44. - Melville : American Institute of Physics, 2015 ; ICCMSE 2010 International Conference of Computational Methods in Sciences and Engineering Keywords CCSD(T) CCSD(T) metóda CCSD(T) method elektrónová afinita electron affinities Language English Country United States of America systematics 54 URL http://scitation.aip.org/content/aip/proceeding/aipcp/10.1063/1.4906628 Public work category AFC No. of Archival Copy 33268 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Accurate noncovalent interaction CCSD(T) calculations of large systems with off-center gaussian basis set functions Par.title Presné CCSD(T) výpočty nekovalentných interakcií veľkých systémov s použitím gridu mimocentrových gaussových funkcií Author info Miroslav Melicherčík ... [et al.] Author Melicherčík Miroslav 1984- (20%) UMBFP05 - Katedra informatiky
Co-authors Pitoňák Michal (20%)
Kellö Vladimír (20%)
Hobza Pavel (20%)
Neogrády Pavel (20%)
Source document CESTC 2014 : Central European symposium on theoretical chemistry : book of abstracts : 21-25 September 2014, Nagybörzsöny, Hungary. S. 55. - Budapešť : Connections 2000 KFT, 2014 ; CESTC 2014 stredoeurópske sympózium Keywords nekovalentné interakcie generovanie gridov funkcie bázy noncovalent interactions basis set functions Language English Country Slovak Republic systematics 004 URL http://www.cestc2014.conn2000.hu/uploads/CESTC%20Book%20of%20Abstracts_final.pdf Public work category AFG No. of Archival Copy 30890 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ 
book
Title Algorithm for generation of off-center gaussian basis set functions grid for computations of accurate noncovalent interaction of large systems Par.title Algoritmus pre generovanie gridu mimocentrických gaussových funkcií pre výpočty presných nekovalentných interakcií veľkých systémov Author info Miroslav Melicherčík ... [et al.] Author Melicherčík Miroslav 1984- (20%) UMBFP05 - Katedra informatiky
Co-authors Pitoňák Michal (20%)
Kellö Vladimír (20%)
Hobza Pavel (20%)
Neogrády Pavel (20%)
Source document CESTC 2013: Central European Symposium on Theoretical Chemistry : 22nd - 25th September 2013, Znojmo, Czech Republic. S. [1]. - Prague : J. Heyrovský Institute of Physical Chemistry, Academy of Science of the Czech Republic, 2013 / Tarana Michal ; Čurík Roman ; CESTC 2013 stredoeurópske sympózium Keywords funkcie bázy nekovalentné interakcie algoritmy - algorithms basis set functions noncovalent interactions algorithms Language English Country Czech Republic systematics 53 Public work category AFG No. of Archival Copy 28357 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ article
Title Off-center gaussian functions, an alternative atomic orbital basis set for accurate noncovalent interaction calculatios of large systems Par.title Mimocentrické gaussove funkcie ako alternatívna báza atómových orbitálov pre presné výpočty nekovalentných interakcií veľkých systémov Author info Miroslav Melicherčík ... [et al.] Author Melicherčík Miroslav 1984- (20%) UMBFP05 - Katedra informatiky
Co-authors Pitoňák Michal (20%)
Kellö Vladimír (20%)
Hobza Pavel (20%)
Neogrády Pavel (20%)
Source document CESTC 2013: Central European Symposium on Theoretical Chemistry : 22nd - 25th September 2013, Znojmo, Czech Republic. S. [1]. - Prague : J. Heyrovský Institute of Physical Chemistry, Academy of Science of the Czech Republic, 2013 / Tarana Michal ; Čurík Roman ; CESTC 2013 stredoeurópske sympózium Keywords funkcie bázy algoritmy - algorithms nekovalentné interakcie basis set functions noncovalent interactions algorithms Language English Country Czech Republic systematics 53 Public work category AFG No. of Archival Copy 28356 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ article
