プログラム

講演プログラム

Session chair:Minori Abe (Tokyo University of Agriculture and Technology)
9:00–10:00Hiromitsu Haba (RIKEN)
"Current Status and Perspectives of Superheavy Element Research at RIKEN"
10:00–10:20Break
Session chair:Ping Yang (Los Alamos National Laboratory)
10:20–10:50Hiromi Nakai (Waseda University)
"Relativistic Origin of the Superior Catalytic Activity of Iridium over Rhodium"
10:50–11:10Pei Zhao (Institute for Molecular Science)
"Theoretical Studies of Carbon-Centered Gold(I) Clusters: From Bonding and Electronic Structures to Photoluminescence and Chirality"
11:10–11:30Eifion H. Prinsen (University of Groningen / Nikhef)
"Ab Initio relativistic Fock-space coupled-cluster calculations of the static dipole polarizabilities of the ground and lowest five electronic excited states of CaF, SrF, and BaF"
11:30–11:50Carsten Zülch (Philipps-Universität Marburg)
"Probing Variations of Fundamental Constants with Heavy Molecular Ions"
11:50–13:00Lunch
Session chair:Masahiro Ehara (Institute for Molecular Science)
13:00–14:00Trond Saue (CNRS / Université de Toulouse)
"QED in finite Gaussian basis sets"
14:00–14:20Takeshi Sato (The University of Tokyo)
"First-Principles Time-Dependent Simulation of Inner-Shell Ionization and Auger Decay in Atoms"
14:20–14:40Naoya Kuroda (The University of Osaka)
"Development of a universal machine-learning interatomic potential covering 97 elements for nuclear applications"
14:40–14:50Break
Session chair:Bhanu Pratap Das (TCG CREST / Institute of Science Tokyo)
14:50–15:50Angela K. Wilson (Texas A&M University)
"Sensitivities and Insensitivities of the Heavy Elements"
15:50–16:10Dávid Ferenc (CNRS / Université de Toulouse)
"Towards all-order self-energy computations in hydrogen molecular ions"
16:10–16:30Break
Session chair:Ayaki Sunaga (Hokkaido University)
16:30–17:00Robert Berger (Philipps-Universität Marburg)
"Predictions of effects in precision spectroscopy of heavy-elemental molecules"
17:00–17:20Julian C. Berengut (University of New South Wales)
"Saturating Configuration Interaction in Open-shell Atoms: Calculating the EUV Spectrum of Sn12+"
17:20–17:40Bryan Melo Flores (Slovak Academy of Sciences)
"Enabling Open-Shell X-ray Absorption Spectroscopy Calculations within Relativistic Damped-Response TDDFT"
17:40–18:00Break
Session chair:Katharina Boguslawski (Nicolaus Copernicus University in Toruń)
18:00–18:30Lucas Visscher (Vrije Universiteit Amsterdam)
"Creating reduced orbital spaces for relativistic and subsystem calculations: the ROSE code"
18:30–18:50Carlos Alberto Salvador Jiménez Rosas (Universidad Nacional Autónoma de México)
"Sensitivity of atoms in a molecule to relativistic effects"
18:50–19:10Gautam Jha (University of Oslo)
"DFTB Parameterization Framework for Actinide Molten Salts"
19:10–19:30Yuya Nakajima (Waseda University / ENEOS Holdings, Inc.)
"Property Prediction of Transition-Metal Complexes with Three-Dimensional Graph Neural Networks Informed by Machine Learning Potential"
19:30–21:00Poster session

ポスタープログラム

Ardhmeri Alija
(Helmholtz-Institut Mainz / GSI Helmholtzzentrum für Schwerionenforschung / Johannes Gutenberg-Universität Mainz)
"Relativistic DFT Study of NMR Properties in Chiral Platinum Complexes for Prospective Parity Violation Experiments"
Masahiro Ehara
(Institute for Molecular Science)
"Photofunctional Metal Clusters and Heterogeneous Catalysts: Collaborations with Experiment"
Hiromichi Hayashi
(The University of Tokyo)
"Ionic-State Resolved Photoelectron Spectra via the MCTDHF-tSURFF Approach"
Yurim Jin
(The Catholic University of Korea)
"Natural Electron Configuration-Based Interpretation of Structural Variations in Xenon and Radon Halides and Chalcogenides"
Muneaki Kamiya
(Gifu University / RIKEN Center for Computational Science)
"Analytical Energy Gradients for Spin–Orbit Coupled Excited States in Two-Component Relativistic TDDFT"
Yugo Komai
(The University of Tokyo)
"Multiconfiguration time-dependent Hartree-Fock method for many particle tunneling"
Isabella T. Pham
(University of Groningen)
"Electron affinities of the lanthanide and actinide atoms using relativistic coupled cluster"
Wonil Seo
(The Catholic University of Korea)
"From Fine Structure to Thermochemistry: Spin–Orbit Control of the Electron Affinities of Pseudohalogen Radicals"
Quentin Pitteloud
(Hylleraas Centre for Quantum Molecular Sciences / UiT – The Arctic University of Norway)
"Relativistic corrections in a multiwavelet representation"