Quantum Chemistry Seminar

We invite extramural researchers to give us lectures.


The 32nd Seminar
Prof. Hirata
Mon., Nov. 21, 2016, 16:00-18:00
Room 03, 2F, Bldg. 63, Nishiwaseda Campus, Waseda University
Prof. So Hirata (University of Illinois)
"Advances in MBPT and MBGF"


The 31st Seminar
Prof. DiLabio
Mon., Feb. 1, 2016, 13:00-14:30
Room 05, 4F, Bldg. 63, Nishiwaseda Campus, Waseda University
Prof. Gino DiLabio (University of British Columbia)
"Atom-centered potentials improve the effiency of density-functional theory"


The 30th Seminar
Dr. Schmidt
Mon., Jun. 22, 2015, 16:00-17:30
Room 03, 4F, Bldg. 53, Nishiwaseda Campus, Waseda University
Dr. Mike Schmidt (Iowa State University)
"Hydrazine decomposition in the gas phase and over an Iridium catalyst"


The 29th Seminar
森准教授
Tue., Jan. 27, 2015, 16:00-17:30
Room 24, 4F, Bldg. 63, Nishiwaseda Campus, Waseda University
Assoc. Prof. Hirotoshi Mori (Ochanomizu University)
"Relativistic model potential and fragment molecular orbital theory: approach toward element strategy by molecular dynamics"


The 28th Seminar
Dr. Malkin
Fri., Nov. 22, 2013, 16:00-17:00
Room 403, Bldg. 53, Nishiwaseda Campus, Waseda University
Dr. Vladimir Malkin (Slovak Academy of Sciences)
“Relativistic calculations of NMR and EPR parameters”

Dr. Malkina
Fri., Nov. 22, 2013, 16:00-17:00
Room 403, Bldg. 53, Nishiwaseda Campus, Waseda University
Dr. Orga L. Malkina (Slovak Academy of Sciences)
“Recent progress in interpretation of NMR spin-spin couplings”


The 27th Seminar
Prof. Elstner
Mon., Apr. 22, 2013, 16:00-17:30
Meeting Room 3, 2F, Bldg. 63, Nishiwaseda Campus, Waseda University
Prof. Marcus Elstner (Karlsruhe Institute of Technology)
"Multi-scale methods for the investigation of biological structures and processes"


The 26th Seminar
Prof. Witek
Mon., Mar. 18, 2013, 17:00-18:30
Meeting Room 4, 2F, Bldg. 55, Nishiwaseda Campus, Waseda University
Prof. Henryk A. Witek (National Chiao Tung University)
"Extending the accuracy and applicability limits in quantum chemistry"


The 25th Seminar
常田特任教授
Thu., Jan. 17, 2013, 15:00-16:30
Room 422, Bldg. 63, Nishiwaseda Campus, Waseda University
Prof. Takao Tsuneda (University of Yamanashi)
"History and recent progress on the study of orbital energy"


The 24th Seminar
Dr. Yu
Wed., Dec. 19, 2012, 17:00-18:30
Meeting Room 3, 2F, Bldg. 63, Nishiwaseda Campus, Waseda University
Dr. Jen-Shian Yu (National Chiao Tung University)
"Theoretical investigations on the homoleptic Fe(NO)4- anion and global potential energy surfaces of dinuclear manganese compounds upon reduction"


The 23rd Seminar
Prof. Piecuch
Tue., Jul. 31, 2012, 16:00-17:30
Meeting Room 3, 2F, Bldg. 63, Nishiwaseda Campus, Waseda University
Prof. Piotr Piecuch (Michigan State University)
"Renormalized and Active-Space Coupled-Cluster Methods: Key Concepts and Recent Advances"

Prof. Piecuch
Wed., Aug. 1, 2012, 16:00-17:30
Meeting Room 3, 2F, Bldg. 63, Nishiwaseda Campus, Waseda University
Prof. Piotr Piecuch (Michigan State University)
"Local Coupled Cluster Methods for Chemical Reaction Pathways Involving Large Molecular Systems and their Multi-Level Generalizations"


The 22nd Seminar
Prof. Wang
Thu., Sep. 10, 2010, 16:00-17:30
Room 201, Bldg. 53, Nishiwaseda Campus, Waseda University
Prof. Feng Wang (Swinburne University of Technology)
"Quantum mechanical modeling and spectral simulation: from atoms to biomolecules"


The 21st Seminar
Prof. Fromager
Thu., Mar. 11, 2010, 16:00-17:30
Room 607, Bldg. 63, Nishiwaseda Campus, Waseda University
Prof. Emmanuel Fromager (Universite de Strasbourg)
"Multireference density-functional theory based on range separation"


The 20th Seminar
Dr. Dupuis
Mon., Dec. 7, 2009, 16:00-17:30
Room B101, Bldg. 52, Nishiwaseda Campus, Waseda University
Dr. Michel Dupuis (Pacific Northwest National Laboratory)
"Theory and Modeling for Energy Applications:Charge Transport in Complex Molecular and Solid State Environments"


The 19th Seminar
Prof. Gadre
Fri., Jul. 3, 2009, 16:00-17:30
Medium Meeting Room, 1F, Bldg. 62-W, Nishiwaseda Campus, Waseda University
Prof. Shridhar R. Gadre (University of Pune)
"Treating Large Molecules and Clusters by Ab initio Methods"


The 18th Seminar
Prof. Scuseria
Sat., Mar. 7, 2009, 10:40-12:10
Room 405, Bldg. 63, Okubo Campus, Waseda University
Prof. Gustavo Scuseria (Rice University)
"Carbon Nanotubes and Graphene Nanoribbons: Screened Hybrid Theoretical Studies"


The 17th Seminar
初井研究員
Wed., Apr. 9, 2008, 14:00-15:30
Medium Meeting Room, Bldg. 62-W, Okubo Campus, Waseda University
Takaki Hatsui (Japan Synchrotron Radiation Research Institute (JASRI))
"An Expectation for Theoretical Chemistry: An X-ray Free Electron Laser and A Nonlinear Interaction of Photons with Matter"


The 16th Seminar
Prof. Li
Mon., Mar. 3, 2008, 16:00-17:30
Meeting Room 4, Bldg. 55-S, Okubo Campus, Waseda University
Prof. Shuhua Li (Nanjing University)
"Block-correlated coupled cluster theory for quantitative descriptions of multi-bond breaking"


The 15th Seminar
Prof. Gordon
Sat., Nov. 24, 2007
Medium Meeting Room, 1F, Bldg. 62, Okubo Campus, Waseda University
Prof. Mark S. Gordon (Iowa State University)
"The Effective Fragment Potential: A General Approach to Intermolecular Interactions"


The 14th Seminar
Prof. Sutcliffe
Wed., Oct. 24, 2007, 16:00-17:30
Room 103, Bldg. 53, Okubo Campus, Waseda University
Prof. Brian Sutcliffe (Universite Libre de Bruxelles)
"The Born-Oppenheimer Approximation - Foundations and Limitations"


The 13th Seminar
Dr. Xantheas
Wed., Mar. 14, 2007, 16:00-17:30
Room 201, Bldg. 52, Okubo Campus, Waseda University
Dr. Sotiris Xantheas (Pacific Northwest National Laboratory)
"Development of a New Interaction Potential for Water from First Principles: Structural and Thermodynamic Properties of Water Clusters, Clathrate Hydrates, Liquid Water and Ice"


The 12th Seminar
重田先生
Mon., Jan. 29, 2007, 16:00-17:30
Room 101, Bldg. 52, Okubo Campus, Waseda University
Dr. Yasuteru Shigeta (the University of Tokyo)
"An Analysis of Quantum Tunneling and Calculations of Molecular Vibration with Quantal Cumulant Dynamics"


The 11th Seminar
Prof. Pittner
Wed., May 31, 2006, 17:00-18:30
Meeting Room 4, 2F, Bldg. 55-S, Okubo Campus, Waseda University
Prof. Jirí Pittner (J. Heyrovský Institute of Physical Chemistry)
"Multireference Brillouin-Wigner Coupled Cluster Method: An Efficient Tool for Study of Quasidegenerate Systems"


The 10th Seminar
Prof. Surjan
Tue., May 30, 2006, 17:00-18:30
Large Meeting Room, 1F, Bldg. 62-W, Okubo Campus, Waseda University
Prof. Péter R. Surján (Eötvös Loránd University)
"Perturbation Theory of Single- and Multi-Configurational States: The Problem of Partitioning"


The 9th Seminar
Prof. Piecuch
Sat., Nov. 19, 2005, 10:00-12:00
Meeting Room 4, 2F, Bldg. 55-S, Okubo Campus, Waseda University
Prof. Piotr Piecuch (Michigan State University)
"New Alternatives for Accurate Quantum Calculations for Molecular Systems: From Bond Breaking and Biradicals to Excited Electronic States"


The 8th Seminar
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Fri., Nov. 18, 2005, 17:45-19:45
Large Meeting Room, 1F, Bldg. 62-W, Okubo Campus, Waseda University
Dr. Koji Ando (Kyoto University)
"Structural Correlations and Isotope Effects in Hydrogen Bonds: An Analysis with Semiquantal Time-dependent Hartree Approach"


The 7th Seminar
Prof. Pulay
Fri., Jul. 22, 2005, 16:00-18:00
Large Meeting Room, 1F, Bldg. 55-N, Okubo Campus, Waseda University
Prof. Peter Pulay (The University of Arkansas)
"New Methods for Large-Scale Electronic Structure Calculations"


The 6th Seminar
市川先生
Tue., Jun. 28, 2005, 18:00-19:30
Meeting Room 3, 2F, Bldg. 55-S, Okubo Campus, Waseda University
Dr. Hiroshi Ichikawa (Waseda University)
"The Controversy about the Roles of Benzen's π Electrons - The Importance of Intuition"


The 5th Seminar
Prof. Scuseria
Mon., Jun. 13, 2005, 16:00-17:30
Meeting Room 3, 2F, Bldg. 55-S, Okubo Campus, Waseda University
Prof. Gustavo E. Scuseria (Rice University)
"New Density Functionals Applied to Old Problems"


The 4th Seminar
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Wed., Nov. 24, 2004, 17:00-18:30
Large Meeting Room, 1F, Bldg. 62-W, Okubo Campus, Waseda University
Dr. Hironori Kokubo (Institute for Molecular Science)
"Self-organization of Steric Structures of Membrane Proteins by an Extended Ensemble Simulation"


The 3rd Seminar
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Thu., Jun. 24, 2004, 17:30-19:00
Meeting Room 4, 2F, Bldg. 55-S, Okubo Campus, Waseda University
Prof. Henrik Koch (Norwegian University of Science and Technology(NTNU))
"Calculating MP2/CC2 Energies by Cholesky Decomposed Integrals"


The 2nd Seminar
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Tue., Jan. 13, 2004, 16:00-18:00
Meeting Room 3, 2F, Bldg. 55-S, Okubo Campus, Waseda University
Dr. Kenro Hashimoto (Tokyo Metropolitan University)
"An Approarch to Atmospheric Environmental Chemistry by Molecular Calculation"

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Tue., Jan. 13, 2004, 16:00-18:00
Meeting Room 3, 2F, Bldg. 55-S, Okubo Campus, Waseda University
Dr. Koji Ando (The University of Birmingham)
"Mixed Quantum-Classical and Semiquantal Molecular Dynamics Methods for Chemical and Biochemical Quantum Transfer Processes"


The 1st Seminar
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Fri., Sep. 27, 2002, 13:00-14:30
Medium Meeting Room, 1F, Bldg. 62-W, Okubo Campus, Waseda University
Dr. Yutaka Imamura (Rice University)
"Development of a Correlation Functional with a CS-type Factor"