PRESENTATIONS

  • "Stochastic and deterministic methods for selected coupled-cluster", Quantum Simulations: From Chemistry to Materials Science, December 17 - 21 (2018), Hong Kong University of Science and Technology (HKUST), Hong Kong.
  • "Selected coupled-cluster approaches from stochastic and deterministic algorithms", The Molecular Electronic Structure in Metz (MESM), August 28 - 31 (2018), Université de Lorraine, Metz, France.
  • "Selected coupled-cluster approaches from stochastic and deterministic algorithms", Low-scaling and Unconventional Electronic Structure Techniques (LUEST2018), June 4 - 8 (2018), Telluride CO USA.
  • "Selected coupled-cluster approaches from stochastic and deterministic algorithms", The 7th (Japan-Czech-Slovakia) Symposium on Theoretical Chemistry, May 21 - 24 (2018),  Institute of Organic Chemistry and Biochemistry (IOCB), Prague, Czech.
  • "Many-body perspectives on stochastic configuration interactions", February 23 (2018), Université Pierre et Marie Curie, Paris, France.
  • "Improving upon stochastic configuration interactions from many-body perspectives", Expeditious Methods in Electronic Structure Theory and Many Body Techniques, December 17-20 (2017), Museum of the Jewish People, Tel Aviv University, Israel.
  • "Improving upon stochastic configuration interactions from many-body perspectives", The 20th Asian Workshop on First-Principles Electronic Structure Calculations, October 30 - November 1 (2017), Nanjing University, China.
  • "Multi-state effective Hamiltonian and size-consistency corrections for stochastic configuration interactions", Vienna University of Technology, September 1 (2017) Vienna, Austria.
  • "Multi-state effective Hamiltonian and size-consistency corrections for stochastic configuration interactions", WATOC2017, August 27 - September 1 (2017), Gasteig cultural center (Philharmony), Munich, Germany.
  • "Many-body perspectives on stochastic configuration interactions", Stochastic Methods in Electronic Structure Theory, July 17 - 21 (2017), Telluride, CO, USA.
  • "High-performance computing of accurate electronic structures from model space quantum Monte Carlo", The Platform for Advanced Scientific Computing 2017 (PASC2017), June 26 - 28 (2017), Lugano, Switzerland.
  • "Large-scale Methods for Accurate Electronic Structures", Theoretical Chemistry for Extended Systems: systematically improvable electronic structure methods, May 22 - 24 (2017), Toulouse, France.
  • "Static and dynamic electron correlations fromrestorations of broken symmetries", (ST, M. Uejima, T. Tsuchimochi), Recent Advances in Many-Electron Theory (RAMET2017), February 9-12 (2017) Goa, India.
  • "Effective Hamiltonians in Stochastic Quantum Chemistry", IRSAMC Université Paul Sabatier et Université de Toulouse, September 26, Toulouse, France.
  • "Massively Parallel Computation of Accurate Electronic Structures", MESBA 2016, September 19 - 23 (2016) Buenos Aires, Argentina.
  • "Massively Parallel Calculation of Accurate Electronic Structures", ISTCP IX, July 17 - 22 (2016) Grand Forks, ND, USA.
  • "Model space quantum Monte Carlo in conjunction with F12 theory", June 29, Comenius University, Bratislava, Slovakia
  • "Advances in model space quantum Monte Carlo", Low-scaling and Unconventional Electronic Structure Techniques (LUEST) 2016, June 1 - 4 (2016) Telluride, CO, USA
  • "Model space quantum Monte Carlo: An effective Hamiltonian approach for electronic structures", Kobe workshop for material design on strongly correlated electrons in molecules and materials, February 17 - 18 (2016) RIKEN Advanced Institute for Computational Science (AICS)
  • "Model space quantum Monte Carlo: Theory and applications", the Seventh Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 7), January 25 - 28 (2016) Kaohsiung, Taiwan.
  • "Model space quantum Monte Carlo method for degenerate and quasi-degenerate electronic states", Advances in Quantum Monte Carlo, The 2015 International Chemical Congress of Pacific Basin Societies (Pacifichem), December 15 - 20 (2015) Honolulu, Hawaii, USA.
  • "The impact of explicitly correlated F12 theory on modern electronic structure calculations", Hylleraas Symposium, November 23 (2015) the Norwegian Academy of Science and Letters, Oslo, Norway
  • "Explicitly correlated F12 calculations of large molecules using massively parallel computers", July 26 - August 6 (2015) Max-Planck-Institute for Solid State Research, Universität Stuttgart, Germany - Institute of Inorganic Chemistry Slovak Academy of Sciences, Slovakia
  • "Model space quantum Monte Carlo method for degenerate and quasi-degenerate electronic states", Recent advances in electronic structure theory (RAEST2015), June 1-6 (2015) Nanjing, China.
  • "Model space quantum Monte Carlo method for degenerate and quasi-degenerate electronic states", Stochastic Wavefunction Methods in Quantum Chemistry, Electronic Structure Theory and Condensed Matter Physics, April 21-24 (2015) Lausanne (CECAM HQ EPFL) Switzerland.
  • "Massively Parallel Implementation of F12 Electronic Structure Methods", A Voyage From Molecules to Materials with Numerical Methods for Quantum Chemistry, January 11 - 14 (2015) Tromsø, Norway
  • "Fundamental aspects of explicitly correlated F12 electronic structure theory", Current Topics in Theoretical Chemistry, Nha Trang Workshop 2014, August 25 - 29 (2014) Nha Trang, Viet Nam
  • "Perspectives on explicitly correlated electronic structure theory", IAQMS meeting, July 5 - 6 (2014) Villa Maria Serena in Menton, France
  • "Some results from restrained denominator MP2-F12 and model space quantum Monte Carlo", Low-scaling and Unconventional Electronic Structure Techniques (LUEST) 2014, June 1 - 5 (2014) Telluride, Colorado, USA
  • "Model space quantum Monte Carlo method: Basic ideas and applications", Recent Advances in Correlation Problem – 2013, December 20-22 (2013) Indian Association for the Cultivation of Science, Kolkata, India
  • "Model space quantum Monte Carlo for quasi-degenerate electronic states", National Chiao Tung University, October 23 (2013) Hsinchu, Taiwan
  • "Model space quantum Monte Carlo method for full CI solutions of quasi-degenerate electronic states", 246th ACS National Meeting & Exposition, September 8-12, (2013) Indianapolis, Indiana, USA
  • "Model space quantum Monte Carlo method for full CI solutions of quasi-degenerate electronic states", Second Brock-Kobe Bilateral Workshop on Scientific Computation, August 20 - 21 (2013) Brock University, Canada
  • "Stochastic determination of effective Hamiltonian for the full CI solution of quasi-degenerate electronic states", 7th Molecular Quantum Mechanics 2013, Electron Correlation: The Many-Body Problem at the Heart of Chemistry, June 2 - 7 (2013) Lugano, Switzerland
  • "Explicitly correlated electronic structure theory: relativistic and stochastic approaches", University of Warsaw, May 28 (2013) Warsaw, Poland
  • "The rational generator in explicitly correlated electronic structure theory", Nicolaus Copernicus University, March 12 (2013) Torun, Poland
  • "Explicitly correlated perturbation theory using cusp conditions", Molecular electronic structure at Troy, September 9 - 13 (2012) Canakkale, Turkey
  • "The rational generator in explicitly correlated electronic structure theory", Theory and Applications in Computational Chemistry (TACC) 2012, September 2 - 7 (2012) Pavia, Italy
  • "Recent advances in explicitly correlated electronic structure theory using cusp conditions", the 2012 International Congress of Quantum Chemistry, June 25 - 30 (2012) Boulder, Colorado, USA
  • "F12 theory in conjunction with relativity and determinantal-based QMC method", a satellite workshop of the 2012 ICQC "Low-scaling and Unconventional Electronic Structure Techniques" (LUEST), June 18-22 (2012) Telluride, Colorado, USA
  • "Explicitly correlated perturbation theory using cusp conditions", Recent Advances in Many-Electron Theories (RAMET) II 2011, December 1-4 (2011) Puri, Orissa, India
  • "Calculation of CD spectra and magnetic shielding ternsors of proteins with the generalized hybrid orbital (GHO) QM/MM method", Prague workshop on theoretical chemistry, September 25-30 (2011) Prague, Czech Republic
  • "QM/MM calculations of electronic properties of proteins", Pacifichem 2010 "Symposium #10 Computational Quantum Chemistry: Theory and Interactions with Experiment in honor of Hiroshi Nakatsuji, Kimihiko Hirao and Shigeru Nagase" December 15-20 (2010) Hawaii, USA
  • "Recent advances in explicitly correlated F12 theory", Pacifichem 2010 Symposium #138 "Molecular Theory for Real Systems and Chemical Reactions" December 15-20 (2010) Hawaii, USA
  • "High-level quantum chemical methods: From atoms to biological molecules", Univ. Paris 6, September 10 (2010) Paris, France
  • "Explicitly correlated methods using cusp conditions", Århus university, September 6 (2010) Århus, Denmark
  • "Recent advances in explicitly correlated F12 theory", The 3rd European Association for Chemical and Molecular Sciences (EuCheMS) Congress in Chemistry "New Developments in Theory" August 29 - September 2 (2010) Nürnberg, Germany
  • "Explicitly correlated F12 methods using cusp conditions", IX Girona Seminar, Electron Density, Density Matrices, and Density Functional Theory Dedicated to Prof. Dr. Ramon Carbó-Dorca on occasion of his 70th birthday July 5 - 8 (2010) Girona, Spain
  • "Recent advances in explicitly correlated F12 theory" Recent Advances in Many-electron theory 2010 (RAMET2010) January 5-7 (2010) Hotel Nest, Shankarpur, India
  • "On the treatment of many-electron integrals in F12 methods" The 4th Asian pacific conference of theoretical and computational chemistry December 21-23 (2009) Port Dickson, Malaysia
  • "Explicitly correlated wavefunctions using Slater-type geminals" September 17 (2009) Budapest University of Technology and Economics, Budapest, Hungary
  • "Explicitly correlated wavefunctions for open-shell molecules" The 3rd Japan-Czech-Slovak joint symposium for theoretical/computational chemistry, September 9 - 11 (2009) Comenius university, Bratislava, Slovakia
  • "Cusp conditions and explicitly correlated wavefunctions" July 16 (2009) Institut für Physikalische Chemie, Universität Mainz, Maintz, Germany
  • "Development of QM/MM methods for solvation and biological molecules" July 14 (2009) Institut für Physikalische Chemie, Universität Karlsruhe, Karlsruhe, Germany
  • "Cusp conditions and explicitly correlated wavefunctions" Workshop on theoretical chemistry 2009, July 8 - 12 (2009) Hotel Cap Roig, Platja d'Aro, Spain
  • "Accurate QM/MM hierarchies for solvation and enzymes", Theory and Applications of Computational Chemistry 2008 (TACC2008), September 22-27 (2008), Shanghai, China
  • "The Use of the Yukawa Potential in Ab Initio and Semi-Empirical Quantum Chemistry", The World Association of Theoretical and Computational Chemists (WATOC2008), September 14-19 (2008), Sydney, Australia
  • "High-level quantum chemical methods: From atoms to biological molecules", The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience, June 3 - 7 (2008) , Tokyo, Japan
  • "Recent advances in explicitly correlated methods", The 1st CMD International Symposium - Chemical Computations, May 30 - June 1(2008), Seoul, Korea
  • "Explicitly correlated Slater-type geminal theory", Symposium on Atomic, Molecular and Optical Sciences: A Seamless Frontier, January 10 - 12 (2008) Vedic Village, India
  • "Recent progress in explicitly correlated F12 electronic structure theory", 3rd Asian pacific conference on computational & theoretical chemistry, September 22 - 26 (2007) Beijing, China (Plenary lecture)
  • "A simple F12 correction in multi-reference perturbation theory", DFG priority program SPP 1145 Workshop "Highly Accurate Calculations of Molecular Electronic Structure", March 22-24 (2007) Bad Herrenalb, Germany
  • "The use of Slater-type functions in explicitly correlated electronic structure theory", ICQC Satellite Symposium "Chemical Accuracy and Beyond - Electron Correlation, DFT, and Breakdown of Born-Oppenheimer Scheme -", May 17-19 (2006) Yokyo, Japan
  • “Recent advances in explicitly correlated electronic structure theory using short-range correlation factors”, CCP2 workshop on explicitly correlated wavefunctions, April 2-5 (2006) Nottingham University, United Kingdom
  • “New developments in explicitly correlated electronic structure theory”, Pacifichem 2005, Computational Quantum Chemistry: Methodology and Application, December 15-20 (2005) Honolulu, Hawaii, USA
  • “Theoretical developments for solvation effects based on integral equation theory”
    Norwegian university of science and technology (NTNU), September 27 (2005) Trondheim, Norway
  • “Recent advances in explicitly correlated electronic structure theory”
    “Theoretical developments for solvation effects based on integral equation theory”
    Beijing university, Beijing normal university, and Beijing university of science and technology, June 7-8 (2005) (Beijing, China)
  • “Explicitly correlated Slater-type geminal theory”, 13th European seminar on computational methods in quantum chemistry (13th Strasbourg seminar), September 21-25 (2005) Smolenice Castle, Slovakia
  • “Rational generator in explicitly correlated electronic structure theory”, 228th ACS National Meeting, August 22 - 26 (2004) Philadelphia, USA
  • “Explicitly correlated second order perturbation theory: A rational generator and numerical quadratures”, 1st Asian pacific conference on computational & theoretical chemistry, May 12 - 15 (2004) Okazaki, Japan
  • “The importance of short-range geminals in explicitly correlated electronic structure theory”, 6th Girona seminar on molecular similarity, July 21 - 24 (2003) Girona, Spain
  • “Explicitly correlated second order perturbation theory with frozen Gaussian-type geminals”, International conference on computational science 2003, Work shop: Computational Chemistry in the 21st Century: Applications and Methods, June 2 - 4 (2003) Melbourne, Australia
  • “Recent advances in explicitly correlated methods with frozen Gaussian geminals”, 43rd Sanibel Symposium, February 22 - March 1 (2003) St. Augustine, USA
  • “On the use of short-range geminal in explicitly correlated methods”, 10th Korea-Japan joint symposium on theoretical/computational chemistry January 12 - 15 (2003) Pohang, Korea
  • “Developments in the transcorrelated method for quasidegenerated systems”
    Institute of Inorganic Chemistry, Slovak Academy of Sciences, September (2002) Bratislava, Slovakia
  • “Recent advances in the transcorrelated method”
    J. Heyrovsky institute of Physical Chemistry, September (2002) Prague, Czech
  • “Many electron theory for the treatment of correlation cusps: The use of transcorrelated Hamiltonian”, Frontiers of theoretical chemistry: Theory and applications, December 17 - 19 (2001) Okazaki, Japan
  • “Improving the feasibility of accurate calculations: A transcorrelated approach using a Gaussian-type geminal”, 5th Girona seminar on molecular similarity, July 12 - 20 (2001) Girona, Spain
  • “Superposition of nonorthogonal Slater-determinants towards electron correlation problems”
    J. Heyrovsky institute of Physical Chemistry, October (1997) Prague, Czech
  • “A Hybrid approach for self-consistent determination of the solute electronic and solvent structures based on the integral equation theory”
    Institute of Inorganic Chemistry, Slovak Academy of Sciences, September (1997) Bratislava, Slovakia
  • “A Hybrid Approach for solvation effects on the electronic structure of solute based on the RISM and ab initio methods”
    Indian Institute for Cultivation and Science, January (1996) Calcutta, India