TMCQ2024

 

 

International Workshop on

New Advances in Theoretical and Computational Molecular Sciences for

Complex and Quantum Processes

 

July 8-12, 2024              KIAS, Seoul, Korea 

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Speakers and Titles

 

July 8 (Mon)

Session 1

 

Speaker 1: Abraham Nitzan (University of Pennsylvania)

Collective response in light-matter Interactions: The interplay between strong coupling, local dynamics, and disorder”

 

Contributed Talk 1: Hyungjun Kim (Incheon National University)

Diverse Quantum Interference Regime in Intramolecular Singlet Fission”

 

Speaker 2: Young-Woo Son (KIAS)

“Ab initio extended Hubbard interactions and their applications”

 

Session 2

 

Speaker 3: Peter Rossky (Rice University)

“Identifying “molecular scenarios” that underlie experimental observations”

 

Contributed Talk 2: Jeong-Mo Choi (Pusan National University)

“Network Structure and Dynamics of Biomolecular Condensates”

 

Speaker 4: Hyonseok Hwang (Kangwon National University)

“Exploring Surfactant Micelles and Cancer Drugs Interacting with Cell Membranes”

 

Speaker 5: Joan-Emma Shea (UC Santa Barbara)

“Self-assembly of the Tau protein: Liquid-liquid phase separation and fibrillization”

 

July 9 (Tue)

Session 3

 

Speaker 6: George Schatz (Northwestern University)

“Plasmons, molecules and theory: where Top-down meets Bottom-up”

 

Speaker 7: Joonkyung Jang (Pusan National University)

“Molecular Structure and Phase Transition of Interfacial Water”

 

Speaker 8: Garnet Chan (Caltech)

“Two or more short stories"

 

Contributed Talk 3: Jonathan D. Schultz (Duke University)

“Leveraging machine learning to disentangle electronic couplings from congested two-dimensional electronic spectra”

 

Session 4

 

Speaker 9:Jian Liu (Peking University)

"Nonadiabatic Field: A Conceptually Novel Approach for Nonadiabatic Dynamics”

 

Contributed Talk 4: Seunghoon Lee (Seoul National University)

“Computing X-ray spectra of transition-metal clusters based on matrix product states”

 

Speaker 10: Woo Youn Kim (KAIST)

“Automate transition state calculations with chemical heuristics and AI”

 

July 10 (Wed)

Session 5

 

Speaker 11: Nancy Makri (University of Illinois, Urbana-Champaign)

“Real-time path integral methods for quantum dynamics”

 

Speaker 12: Yun Hee Jang (DGIST)

Hard-Cation-Soft-Anion Ionic Liquids for PEDOT:PSS Conductivity Enhancement. Multiscale Molecular Modeling”

 

Speaker 13: Yong Woon Kim (KAIST)

“Target searches by active particles”

 

Contributed Talk 5: Ji-Hyun Kim (Chung-Ang University)

“Integrated method for identifying the optimal descriptor of acute critical illness: Development of septic infection related risk index (SIRRI) and investigation into patient’s fate dynamics along SIRRI”

 

Session 6

 

Speaker 14: Yoshitaka Tanimura (Kyoto University)

“Classical and quantum thermodynamics in non-equilibrium regime: The dimensionless minimum work principle”

 

Contributed Talk 6: Hyun Woo Cho (Seoultech)

“Universal Transport Distribution in Percolation”

 

Speaker 15: Artur Izmaylov (University of Toronto)

“Algebraic techniques for quantum computing in quantum chemistry"

 

Speaker 16: Joonsuk Huh (Sungkyunkwan University)

“Perfect Matching with Photons, Phonons, Electrons, and Spins”

 

 

July 11 (Thu)

Session 7

 

Speaker 17: Alexandre Tkatchenko (University of Luxembourg)

"Towards quantum force fields using quantum charged oscillators"

 

Contributed Talk 7: Cheol-Ho Choi (Kyungpook National University)

MRSF-TDDFT: A Breakthrough for DFT/TDDFT”

 

Speaker 18: Yousung Jung (Seoul National University)

“Organic Synthesis Predictions Enabled by AI

 

Contributed Talk 8: Seogjoo Jang (CUNY-Queens College)

“Magnus Expansion for Quantum Dynamical Processes