Seminar
2020
2019
2017
- Associate Professor Ashutosh Gupta (March 10, 2017 )
(Department of Chemistry, Udai Pratap College, M.G.K.V.P University, Varanasi,
Uttar Pradesh, India)
"Role of Noble Gas in Binding Ability of Metal Cyanides, Halides and Oxides
(Metal = Cu, Ag, Au): A Computational Investigation"
South Laboratory Building, Room 408
March 10 (Fri) 10:00 am -
2016
- Dr. Ichiro Tanabe (March 16, 2016 )
(Kwansei Gakuin University, Japan)
"The electronic structure of surfaces and materials studied by far-ultraviolet
and deep-ultraviolet spectroscopy"
South Laboratory Building, Room 408
March 16 (Wed.) 13:30-
- Ms. Gao Yang (Feb 17,2016)
(Xi-an Jiaotong University, China)
"Hydrogel Microphone: Deformable Network of Metal Nanoparticles Enables
Stealthy Underwater Listening with Extreme Sensitivity"
200 Seminar Room, RCCS Building
February 17 (Wed.) 13:30-
2015
- Dr. Roger Amos (June 24, 2015 )
(Supercomputer Facility, Australian National University, Australia)
"Some Ground and Excited State Structures of Spiropyrans"
South Laboratory Building, Room 408
June 24, 2015 (Wed) 10:30 am -
2014
- Prof. Josef Michl (Oct 29, 2014)
(University of Colorado at Boulder, USA,
Institute of Organic Chemistry and Biochemistry ASCR, Czech)
"Delocalization and Localization of Excitons and Polarons in Oligosilanes"
Institute for Molecular Science, Research Building 2F, Room 201
October 29 (Wed) 16:00 -
- Assoc. Prof. U. Deva Priyakumar(Jun 23, 2014)
(Center for Computational Natural Sciences and Bioinformatics,
International Institute of Information Technology, Hyderabad)
"Urea Assisted RNA Unfolding: Mechanism and its Implications"
Institute for Molecular Science, Research Building 2F, Room 201
June 23 (Mon.) 16:00-
- Prof. G. Narahari Sastry (Jun 6, 2014)
(Indian Institute of Chemical Technology, Hyderabad)
"Non-covalent interactions on carbon nano structures"
Institute for Molecular Science, Research Building 2F, Room 201
June 6 (Fri.) 13:30-
- Prof. Thomas Sommerfeld (May 20, 2014)
(Southeastern Louisiana Univ., USA)
"Visualizing the non-valence character of excess electrons"
200 Seminar Room, RCCS Building
May 20 (Tue.) 13:30-
- Mr. Jared A. Hansen (April 14, 2014)
(Michigan State University, USA)
"Catalytic and Excited State Properties using Highly Correlated Electronic
Structure Methods"
200 Seminar Room, RCCS Building
April 14 (Mon.) 16:00-
- Prof. Dr. Gernot Frenking (April 10, 2014)
( Fachbereich Chemie, Philipps-Universitaet Marburg, Germany)
"Main group complexes with unusual donor-acceptor bonds"
Institute for Molecular Science, Research Building 2F, Room 201
April 10 (Thr.) 10:00-
- "Sustainable Chemistry Based on Quantum Principle"(April 7, 2014)
Vinich Promarak
(Suranaree University of Technology)
"Molecular Design of Organic Dye Sensitizers for Dye-Sensitized Solar
Cells (DSSCs)"
Siriporn Jungsuttiwong
(Ubonrachatani University)
"Molecular Design of Simple D-π-A architecture of Near-Infrared
Organic Compounds"
Carlo Adamo
(Ecole Nationale Superieuer de Chimie de Paris)
"Modeling Charge Transport in Fuel Cells"
Supawadee Namuangruk
(NANOTECH)
"DFT Study on Removal of Elementary Mercury from Flue Gas"
Ryoichi Fukuda
(Institute for Molecular Science)
"Structure and Reactivity of Ru Catalysts"
Masahiro Ehara
(Institute for Molecular Science)
"Au/Pd Nanocluster Chatalysts"
200 Seminar Room, RCCS Building
April 7 (Mon.)
- Prof. Xin Xu (February 17,18, 2014)
(Fudan University, China)
"NOx Storage Mechanism on NSR Catalysts"
200 discussion room, Research Center for Computational Science
February 17 (Mon.) 13:30-
"Hybrid method for accurate and efficient modeling of large systems"
200 discussion room, Research Center for Computational Science
February 18 (Tue.) 16:00-
2013
- CMS open seminar(June 3, 2013)
Dr. Frédéric Labat
"Modeling DSSCs using DFT"
Ms. Diane Bousquet
"Vertical and Relaxed Excited states: DFT vs SAC-CI"
Dr. Ilaria Ciofini
"Density based descriptors for excited state character and reactivity"
(Ecole Nationale Superieuer de Chimie de Paris (ENSCP), France)
200 discussion room, Research Center for Computational Science
June 3 (Mon.) 14:00-
- Prof. Piotr Piecuch (February 15, 2013)(The 844th IMS colloquium)
(Michigan State University, USA)
"Local Coupled-Cluster Methods for Chemical Reaction Pathways Involving
Large Molecular Systems"
201 seminar room, Main Office Building of IMS
February 15 (Fri.) 16:00-
2012
- Prof. Piotr Piecuch (August 10, 2012)(CMS open seminar)
(Michigan State University, USA)
"Renormalized and Active-Space Coupled-Cluster Methods: Key Concepts
and Recent Advances"
201 seminar room, Main Office Building of IMS
August 10 (Fri.) 16:00-
- Dr. Thomas Sommerfeld (June 14, 2012) (CMS open seminar)
(Southeastern Louisiana Univ., USA)
"Characterizing the "Excess" Electron of Li(NH3)n"
200 discussion room, Research Center for Computational Science
June 14 (Thr.) 10:00-
- Prof. Carlo Adamo (March 12, 2012) (CMS open seminar)
(Ecole Nationale Superieuer de Chimie de Paris (ENSCP), France)
"First-principles approach to DFT: from GGA to hydrids and beyond"
200 discussion room, Research Center for Computational Science
March 12 (Mon.) 17:00-
2011
- Dr. Thomas Sommerfeld (June 23, 2011) (CMS open seminar)
(Southeastern Louisiana Univ., USA)
"Empirical methods for temporary anions"
201 seminar room, Main Office Building of IMS
June 23 (Thr.) 16:00-
2010
- Dr. Swapan Chakrabarti (May 16, 2010) (50th CMS seminar)
(University of Calcutta, Calcutta, India)
"Molecular spin filter: New generation of spintronic materials"
301 seminar room, Main Office Building of IMS
May 16 (Tue.) 13:30-
2009
- Dr. Annika Bande (May 22, 2009) (45th CMS seminar)
(Quantum Chemistry Research Institute, Kyoto, Japan)
"LiH Potential Energy Curves for Ground and Excited States with the Free-Complement Function Local-Schroedinger-Equation Method"
200 discussion room, Research Center for Computational Science
May 22 (Fri.) 13:30-
2008
- Dr. G. Narahari Sastry (March 18, 2009) (44th CMS seminar)
(Molecular Modeling Group, Organic Chemical Sciences, Indian Institute of Chemical Technology, India)
"Non-Covalent Interactions in Isolated and Associated Forms"
301 seminar room, Main Office Building of IMS
March 18 (Wed.) 15:00-
Joint seminar with Prof. Sakurai's group (IMS)
- Prof. Debashis Mukherjee (March 13, 2009) (43rd CMS seminar)
(Raman Center for Atomic, Molecular and Optical Sciences Indian Association for the Cultivation of Science, Kolkata, India)
"State-specific Spin-adapted Coupled Cluster Formalisms and their Non-perturbative Approximants"
301 seminar room, Main Office Building of IMS
March 13 (Fri.) 13:30-
- Prof. Roberto Cammi (February 2, 2009) (42nd CMS seminar)
(Dipartimento di Chimica Generale Chimica Analitica, Chimica Fisica, Universita' di Parma, Italy)
"Structure and Properties of Molecular Solutes in Excited Electronic States: A Polarizable Continuum Model Approach Based on the Time-Dependent Density Functional Theory"
201 seminar room, Main Office Building of IMS
February 2 (Mon.) 13:30-
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