Gabor I. Csonka: contributions to conferences

Gábor I. Csonka: selected contributions to conferences

Diminished gradient dependence of density functionals: Constraint satisfaction and self-interaction correction
Adrienn Ruzsinszky,¹ John P. Perdew,¹ Gábor I. Csonka, Oleg A. Vydrov and Gustavo E. Scuseria
The Sixth Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI) University of British Columbia, Vancouver, Canada, July 19−24, 2008. Abstracts
Keynote lecture: RECENT IMPROVEMENTS IN SEMI-LOCAL DENSITY FUNCTIONAL THEORY
Gábor I. Csonka, John P. Perdew, A. Ruzsinszky, S. Grimme
CURRENT TRENDS IN THEORETICAL CHEMISTRY V Kraków, Poland, 6-10 July, 2008.
John P. Perdew, A. Ruzsinszky, G. I. Csonka, L. A. Constantin, X. Zhou, O. A. Vydrov, G. E. Scuseria, K. Burke, S. Grimme
Restoring the Gradient Expansion for Exchange in a Generalized Gradient Approximation for Solids, Surfaces, and Organic Molecules
Thirteenth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XIII), Michigan State University, East Lansing, Michigan, USA, July 6-12, 2008.
Adrienn Ruzsinszky, John P. Perdew, Gábor I. Csonka, Gustavo E. Scuseria, Oleg A. Vydrov
Understanding and Correcting the Self-Interaction Error in the Electrical Response of Hydrogen Chains
Thirteenth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XIII), Michigan State University, East Lansing, Michigan, USA, July 6-12, 2008.
CARB 23 - Efficient electron density functionals and basis sets for carbohydrates
Gábor I. Csonka
The 235th ACS National Meeting, New Orleans, LA, April 6-10, 2008
RESTORING THE DENSITY-GRADIENT EXPANSION FOR EXCHANGE: THE INFORMATION CONVEYED BY A GRADIENT ENHANCEMENT FUNCTION
Gábor I. Csonka
Symposium on Molecular Informatics and Bioinformatics, Institute for Advanced Studies, Collegium Budapest, Hungary, 27-29 March, 2008.
D1.00005 : Restoring the Density-Gradient Expansion for Exchange in a GGA for Solid and Surfaces
John P. Perdew
2008 APS March Meeting, March 10–14, 2008; New Orleans, Louisiana
Q13.00002 : Improved Description of Stereoelectronic Effects Using Semi-local Density Functional Theory
Gábor I. Csonka, John P. Perdew, A. Ruzsinszky
2008 APS March Meeting, Louisiana, March 10–14, 2008.
Q13.00001 : Polarizabilities and Hyperpolarizabilities of Hydrogen Chains: Is Self-Interaction Correction the Key?
Adrienn Ruzsinszky, John P. Perdew, Gábor I. Csonka, Gustavo E. Scuseria, Oleg A. Vydrov
2008 APS March Meeting, New Orleans, Louisiana, March 10–14, 2008.
Polarizabilities and Hyperpolarizabilities of Hydrogen Chains: Is Self-Interaction Correction the Key?
Adrienn Ruzsinszky, John P. Perdew, Gábor I. Csonka, Oleg Vydrov, Gustavo E. Scuseria

48th Sanibel Symosium, St Simons Island, USA, Feb. 21-26, 2008.
Strong Self-Interaction Error in Open Systems Including Strethced Molecules
Adrienn Ruzsinszky, John P. Perdew, Gábor I. Csonka, Oleg Vydrov, Gustavo E. Scuseria
12th International Conference on the Applications of Density Functional Theory, Amsterdam, The Netherlands , Aug. 26-30, 2007.
Strong Correlation in Stretched Bonds
Adrienn Ruzsinszky, John P. Perdew, Gábor I. Csonka, Oleg Vydrov, Gustavo E. Scuseria
PASI2007 - Pan American Advanced Study Institute 2007, Electronic States and Excitations on Nanostructures, Zacatecas, Mexico, June 11-22, 2007.
Pervasive and Resilient Self-Interaction Error of Common Density Functionals
Adrienn Ruzsinszky, John P. Perdew, Gábor I. Csonka, Oleg Vydrov, Gustavo E. Scuseria
Theory of Atomic and Molecular Clusters V, Richmond, USA, 13-17 May, 2007.
Pervasive and Resilient Self-Interaction Error of Common Density Functionals
Adrienn Ruzsinszky, John P. Perdew, Gábor I. Csonka, Oleg Vydrov, Gustavo E. Scuseria
First annual DFT School and Workshop, Laguna Beach, CA, USA, March 31 - April 1, 2007.
The Problem of Fractional Charge Dissociation in DFT
Adrienn Ruzsinszky, John P. Perdew, Gábor I. Csonka, Oleg Vydrov, Gustavo E. Scuseria
International workshop on DFT meets strong correlation, Montauk, NY, USA, September 5-8, 2006
Remedying Fractional Charge Error of Dissociating Salts by Perdew-Zunger and Scaled Down Self-Interaction Error Correction
Adrienn Ruzsinszky, John P. Perdew, Gábor I. Csonka, Oleg Vydrov, Gustavo E. Scuseria
XIIth International Congress of Quantum Chemistry, Kyoto, Japan, May 21-26, 2006.
Recent Tests of Density Functionals for Chemical Systems
John P. Perdew, Filipp Furche, Adrienn Ruzsinszky, and Gábor I. Csonka
Fifth Congress of the International Society for Theoretical Chemical Physics, NEW ORLEANS, LOUISIANA, USA, July 20, 2005 - July 26, 2005.
Meta-GGA density functional theory, expectations, and performance
Gábor I. Csonka, John Perdew, Adrienn Ruzsinszky, Jianmin Tao
Central European Symposium on Theoretical Chemistry, CESTC 2004, Tihany, Balaton, Hungary Chateau and Park Hotel September 30-October 3, 2004.
Perfluorinated Cellobiose as a Theoretical Model for Cellulose and Related Disaccharides
A D French*, G I Csonka, A-M Kelterer and G P Johnson
22nd International Carbohydrate Symposium, Glasgow, United Kingdom, 23-27 July 2004
The TPSS Meta-GGA: An Accurate Nonempirical Density Functional Sans Exact Exchange
John P. Perdew, Jianmin Tao, Victor Staroverov, Gustavo Scuseria, Adrienn Ruzsinszky, and Gábor I. Csonka
PT4: Frontiers in Quantum Chemical Modeling and Simulation
CSC 87th Canadian Chemistry Conference, London, Ontario, Canada, May 29- June 1, 2004
16th Annual Workshop on Recent Developments in Electronic Structure Methods
Adrienn Ruzsinszky, Gabor Csonka, John P. Perdew
Rutgers, the State University of New Jersey New Brunswick, NJ, USA, 27-30 May, 2004
1. Rapid Estimation of Enthalpies of Formation from Hartree-Fock Total Energy and Partial Charges
2. Energies of Organic Molecules and Atoms in Density Functional Theory
10th edition of the International Congress on the Applications of Density Functional Theory in Chemistry and Physics September 7 to September 12 2003 in Brussels (Belgium).
Optimal Selection of Partial Charge Calculation Method and Equilibrium Molecular Geometry for Rapid Estimation of Enthalpies of Formation from Hartree-Fock Total Energy and Partial Charges
WATOC02, 4-9 Aug, 2002, Lugano, Switzerland

Ab Initio Conformational Space Study of Model Compounds of O-Glycosides of serinediamide,
WATOC02, 4-9 Aug, 2002, Lugano, Switzerland

Optimal Selection of Partial Charge Calculation Method and Equilibrium Molecular Geometry for Rapid Estimation of Enthalpies of Formation from Hartree-Fock Total Energy and Partial Charges
Fourth International Congress of the International Society for THEORETICAL CHEMICAL PHYSICS, ICTCP-IV - 9-16 July, 2002 - Marly-le-Roi / Paris, France

The Conformation Space of Oligosaccharides, Natural Information Coding Leading to Molecular Recognition
Fourth International Congress of the International Society for THEORETICAL CHEMICAL PHYSICS, ICTCP-IV - 9-16 July, 2002 - Marly-le-Roi / Paris, France

Ab Initio oligosaccharide structures: synergy between theory and experiment
Gordon Research Conference, July 8-14, 2001, Mount Holyoke, USA

Predicting of Basis set Extension and Correlation Energy from Ab Initio Charge Distribution
Gordon Research Conference, July 8-14, 2001, Mount Holyoke, USA

The Conformation Space of Oligosaccharides, Natural Information Coding Leading to Molecular Recognition,
Symposium on Molecular Informatics and Combinatorial Quantum Chemistry, Institute for Advanced Studies, Collegium Budapest, Hungary, 19-21 February, 2001.

Fitting atomic correlation parameters for RECEP (Rapid Estimation of Correlation Energy from Partial Charges) method to estimate molecular correlation energies within chemical accuracy, EUCO-CC3, Budapest, Hungary, 4-9 Sept. 2000.

Fitting atomic correlation parameters for RECEP (Rapid Estimation of Correlation Energy from Partial Charges) method to estimate molecular correlation energies within chemical accuracy, 10th International Congress of Quantum Chemistry, Menton, France, 5-10 June 2000.

New Development in RECEP (Rapid Estimation of Correlation Energy from Partial Charges) Method, 5th World Congress of Theoretically Oriented Chemists, Imperial College, London, UK, 1-6 August 1999.

Ab inito study of The Lowest Energy Conformers of Lewis X (Le^x) Oligosaccharide. 5th World Congress of Theoretically Oriented Chemists, Imperial College, London, UK, 1-6 August 1999.

József Nagy, József Nyitrai, István Vágó, Gábor I. Csonka, Relative Stability and Structure of Dihydro-1,2,4-Triazines. A Theoretical study, ECCC4, Fourth Electronic Conference in Computational Chemistry, November, USA, 1997.

Gábor I. Csonka, and János G. Ángyán, THE ORIGIN OF THE PROBLEMS WITH PM3 CORE REPULSION FUNCTION, 9th International Congress of Quantum Chemistry, Atlanta, USA, June 9-15, 1997.

Gábor I. Csonka, and Benny, G. Johnson, INCLUSION OF EXACT EXCHANGE FOR THE SIMPLEST HYDROGEN ABSTRACTION REACTION, 9th International Congress of Quantum Chemistry, Atlanta, USA, June 9-15, 1997.

Gábor I. Csonka, Nam Anh Nguyen, and István Kolossváry, THE WORKING MECHANISM OF A, B, AND C PARAMETERS IN HYBRID DENSITY FUNCTIONAL METHODS, 9th International Congress of Quantum Chemistry, Atlanta, USA, June 9-15, 1997.

Attila Kovács, Gábor I. Csonka, and György Keserû, Comparison of Ab Initio and Density Functional Methods for the Vibrational Analysis of Tellurium Tetrachloride, 37th Sanibel Symposium on Atomic, Molecular and Condensed Matter Theory, St. Augustine, Florida, USA, March 1-7, 1997.

Gábor I. Csonka and János G. Ángyán, The origin of the problems with PM3 Core Repulsion Function, ECCC3, Third Electronic Conference in Computational Chemistry, November, USA, 1996.

Gábor I. Csonka, Krisztina Éliás and Imre G. Csizmadia, Density functional study of the relative stability of selected ¹C₄ and ⁴C₁ chair forms of beta-D-glucose, Second Electronic Glycoscience Conference (EGC2), England, September 1996.

Gábor I. Csonka, István Kolossváry, Krisztina Éliás and Imre G. Csizmadia, AB INITIO AND DENSITY FUNCTIONAL STUDY OF THE CONFORMATIONAL SPACE OF SUGARS, WATOC 96, Jerusalem, Izrael July 7-12, 1996.

Gábor I. Csonka , János Ángyán, Pál Hencsei, PREDICTING MOLECULAR STRUCTURE FOR SILATRANES USING DENSITY FUNCTIONAL THEORY, Second International Congress on Theoretical Chemical Physics, New Orleans, Louisiana, USA, April 9-13, 1996.

Gábor I. Csonka, István Kolossváry, Pál Császár, Krisztina Éliás, Imre G. Csizmadia, THE CONFORMATIONAL SPACE OF SELECTED ALDO-PYRANO-HEXOSES, Second International Congress on Theoretical Chemical Physics, New Orleans, Louisiana, USA, April 9-13, 1996.

Kovács, A., Borisenko, K.B., Kolossváry, I., Csonka, G. I. and Hargittai, I., Molecular geometry and hydrogen bonding in 2-trifluoromethylphenol, 16th Austin Symposium on Molecular Structure, Austin (Texas) USA, March 4-6, 1996.

Csonka, G. I., Éliás, K., Csizmadia, I. G., Ab initio study of the conformational space of ¹C₄ -L-fucose, ECCC2, Second Electronic Conference in Computational Chemistry, November, USA, 1995.

Csonka, G. I., Anh, N., Kolossváry, I., 3D visualization of the chemical bonds and properties using the Laplacian of the electron density, ECCC2, Second Electronic Conference in Computational Chemistry,November, USA, 1995.

Kovács, A., Kolossváry, I., Csonka, G. I. Izvekov, V. and Hargittai, I., Theoretical study of intramolecular hydrogen bonding and molecular geometry of 2-trifluoromethylphenol, 10th International Conference on Fourier Transform Spectroscopy, Budapest, Hungary, August 28-September 1, 1995.

Csonka, G. I, Anh, N. and Kolossváry, I., Comparison of electron densities calculated by HF, MP2, DFT and Full-CI methods, 6th International Conference on Density Functional Theory 95, Paris, France, August 29-September 1, 1995.

Csonka, G. I., Anh, N., and Réffy, J., The performance of Generalized Gradient Approximation DFT methods with gaussian basis sets: Sulfur and Chlorine-containing molecules, First Electronic Computational Chemistry Conference, ECCC1, Northern Illinois University, USA, November 1994.

Csonka, G. I. and Anh, N., The ability of the MP2 and MP3 methods to model the QCISD(T) basis set extension effects for the hydrogen atoms in molecules, First Electronic Computational Chemistry Conference,ECCC1, Northern Illinois University, USA, November 1994.

Csonka, G. I and Réffy, J., Density-functional study of the equilibrium geometry and Si-O-Si potential energy curve of disiloxane, 8th International Congress of Quantum Chemistry, Prague, Czech Rep., 19-23 June 1994.

Csonka, G. I and Hencsei, P., Density-functional prediction of gas phase molecular structure of 1-chlorosilatrane, 8th International Congress of Quantum Chemistry, Prague, Czech Rep., 19-23 June 1994.

Csonka, G. I, Erdõsy, M. and Réffy, J., Structure of disiloxane: semi-empirical and post-Hartree-Fock study E.C.C.C. 1, First European Conference on Computational Chemistry Nancy, France, 23-27 May 1994.

Csonka, G. I and Hencsei, P., Ab initio prediction of gas phase molecular structure of 1-chlorosilatrane, E.C.C.C. 1, First European Conference on Computational Chemistry Nancy, France, 23-27 May 1994.

Csonka, G. I., Accurate prediction of enthalpies of formation by least computational effort, E.C.C.C. 1, First European Conference on Computational Chemistry Nancy, France, 23-27 May 1994.

Sztraka, L., Csonka, G. I., Das Rotations-Inversion-Innerrotationsspektrum des Methylamins im Grundzustand und die flexible Geometrie der Molekül, DASp-Disskussionstagung un Workshop, Interpretation von Infrarot- und Ramanspektren, Drezden, BRD, 14.-16. March 1994.

Nagy, J., Nyitrai, J. and Csonka G., Neue Beiträge zum mechanismus der photoringverengung von 1,2,4-triazinen, 13. Tagung der Fachgruppe Photochemie der Gesellschaft Deutscher Chemiker. Berlin, BRD, 17-19. Nov. 1993.

Csonka, G.; Kolossváry I., Lankmayr, E.; Wegscheider, W.;: Automatikus HPLC paraméter optimalizálás Fuzzy algoritmussal. KEMOMETRIA '89 Csopak, HUNGARY, 1989 Oct. 20-22.

Csonka, G: Microcomputer based quantum chemistry Symposium on Quantum Chemistry Tatra Lomnic, Czechoslovakia, oct. 2-7, 1988.

Nyulászi, L.; Veszprémi, T.; Pasinszky, T.; Csonka, G.; Réffy, J.; Heinicke, J.: The conjugative ability of phophorus and arsenic: An UPS study XIII International Confrence on Organometallic Chemistry Torino, Italy, sept. 4-9, 1988.

Veszprémi, T.; Nyulászi, L.; Zsombok, Gy.; Csonka, G.; Hassler, K.; Hengge , UPS and Quantum-chemical study of substituted di- and trisilanes 17-th European Conference on Molecular Spectroscopy (EUCMOS) Amsterdam, THE NETHERLANDS, aug. 30-sept. 4. 1987.

Veszprémi, T.; Nyulászi, L.; Pasinszky, T.; Csonka, G: UPS andQuantum-chemical study of compounds containing SiNCX (X=O,S,Se) groups 17-th European Conference on Molecular Spectroscopy (EUCMOS) Amsterdam, THE NETHERLANDS, aug. 30-sept. 4. 1987.

Mestyanek, Ö.; Csonka, G.: Using graph theory in mass spectrometry Automated Reasoning in Chemistry ARCH ´87 Budapest, HUNGARY, 1987.

Mestyanek, Ö.; Csonka, G.: Kémiai gráfok a tömegspektrometriában. KEMOMETRIA '85 Csopak, HUNGARY, 1985 oct. 20-22.

Csonka, G.: Mikroszámítógép alkalmazása szerves szintézis tervezésben. KEMOMETRIA '84 Csopak, HUNGARY, 1984 oct. 20-22.

Csonka, G.; Nagy, Z.; Bruck, P.; Veszprémi, T.: HTSS - A new method for searching chemical substructures. EUCHEM Conference on Computers in Chemistry. Compiegne, FRANCE, 1983 okt. 11-14.

Csonka, G.; Nagy, Z.; Bruck, P.; Veszprémi, T.: HTSS - A new method for searching chemical substructures. 16th European Conference on Molecular Spectroscopy (EUCMOS), Sofia, BULGARIA, 1983 sept. 12-16.

Csonka, G.; Hencsei, P.:Calculation of dipol moment for sylatranes. Int. Seminar on Approximation Methods in Quantum Chemistry and Applications. Gyõr, HUNGARY, 1982 oct. 10-12.

Veszprémi, T.; Csonka, G.: Theory of correlation tables. 14th European Conference on Molecular Spectroscopy (EUCMOS), Frankfurt am Main, 1979. sept. 3-7.