:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Liu, Dongxin, Elishav, Oren, Fu, Jiarui, Sakakibara, Masaya, Yamanouchi, Kaoru, Hirshberg, Barak, Nakamuro, Takayuki, Nakamura, Eiichi
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics
Online Access:	https://arxiv.org/abs/2402.04738
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

The effect of ligands on the size distribution of copper nanoclusters: insights from molecular dynamics simulations
by: Elishav, Oren, et al.
Published: (2024)

Generalized Suzuki-Chin Factorization in Bosonic Path Integral Molecular Dynamics
by: Higer, Jacob, et al.
Published: (2026)

Have you tried turning it off and on again? Stochastic resetting for enhanced sampling
by: Blumer, Ofir, et al.
Published: (2025)

Short-Time Infrequent Metadynamics for Improved Kinetics Inference
by: Blumer, Ofir, et al.
Published: (2024)

Deep‐red Emitting Copper(I) Indenediyltrisphosphine Complexes with Minimized Skeletal Vibrations and Configurational Disorder
by: Shota Fukuma, et al.
Published: (2024)

Inference of non-exponential kinetics through stochastic resetting
by: Blumer, Ofir, et al.
Published: (2024)

Quadratic Scaling Bosonic Path Integral Molecular Dynamics
by: Feldman, Yotam M. Y., et al.
Published: (2023)

Adaptive Resetting for Informed Search Strategies and the Design of Non-equilibrium Steady-states
by: Keidar, Tommer D., et al.
Published: (2024)

Periodic Boundary Conditions for Bosonic Path Integral Molecular Dynamics
by: Higer, Jacob, et al.
Published: (2025)

First-Passage Approach to Optimizing Perturbations for Improved Training of Machine Learning Models
by: Meir, Sagi, et al.
Published: (2025)

Accelerating Molecular Dynamics through Informed Resetting
by: Church, Jonathan R., et al.
Published: (2024)

fix pimd/langevin: An Efficient Implementation of Path Integral Molecular Dynamics in LAMMPS
by: Li, Yifan, et al.
Published: (2026)

High repetition rate ultrafast electron diffraction with direct electron detection
by: Diaz, Fernando Rodriguez, et al.
Published: (2024)

Picosecond imaging of dynamics of solvated electrons during femtosecond laser-induced plasma generation in water
by: Sakakibara, Noritaka, et al.
Published: (2025)

Unified approach to time-resolved x-ray and electron diffraction imaging
by: Yuan, Mingrui, et al.
Published: (2026)

Ultrafast electron diffractive imaging of the dissociation of pre-excited molecules
by: Xiong, Yanwei, et al.
Published: (2025)

Imaging the photochemical dynamics of cyclobutanone with MeV ultrafast electron diffraction
by: Wang, Tianyu, et al.
Published: (2025)

Quantum tomography of molecules using ultrafast electron diffraction
by: Jiang, Jiayang, et al.
Published: (2024)

Prediction challenge: First principles simulation of the ultrafast electron diffraction spectrum of cyclobutanone
by: Suchan, Jiří, et al.
Published: (2024)

Photofragmentation of cyclobutanone at 200 nm: TD-DFT vs CASSCF electron diffraction
by: Daría, Alberto Martín Santa, et al.
Published: (2024)

A data-driven sparse learning approach to reduce chemical reaction mechanisms
by: Fang, Shen, et al.
Published: (2024)

Brownian-motion approach to statistical mechanics: Langevin equations, fluctuations, and timescales
by: Dattagupta, Sushanta, et al.
Published: (2025)

Unveiling chiral electron-photon correlation effects in circularly polarized optical devices
by: Moutaoukal, Yassir El, et al.
Published: (2025)

The photodissociation dynamics and ultrafast electron diffraction image of cyclobutanone from the surface hopping dynamics simulation
by: Peng, Jiawei, et al.
Published: (2024)

Convolutional neural network approach to ion Coulomb crystal image analysis
by: Allsopp, James, et al.
Published: (2025)

Surface doping of rubrene single crystals by molecular electron donors and acceptors
by: Gatsios, Christos, et al.
Published: (2024)

Ultrafast electron diffraction of photoexcited gas-phase cyclobutanone predicted by ab initio multiple cloning simulations
by: Makhov, Dmitry V., et al.
Published: (2024)

A technique for continuous crystallization of high‐quality ammonium polyvanadate: Crystallization mechanism and simulation of deflector tube baffle crystallizer
by: Ting Jiang, et al.
Published: (2024)

Ultrafast photochemistry and electron-diffraction spectra in n->(3s) Rydberg excited cyclobutanone resolved at the multireference perturbative level
by: Jaiswal, V. K., et al.
Published: (2024)

Shannon and Rényi entropies of molecular densities: insights into extensivity and the incomplete description of electron correlation
by: Rodrigues, Diogo J. L., et al.
Published: (2026)

Stochastic approach to entropy production in chemical chaos
by: Gaspard, Pierre
Published: (2020)

A combined statistical mechanical and ab initio approach to understanding H2O/CO2 co-adsorption in mmen-Mg2(dobpdc)
by: Owens, Jonathan R., et al.
Published: (2025)

Unveiling ZIF-8 nucleation mechanisms through molecular simulation: role of temperature, solvent and reactant concentration
by: Gargari, Sahar Andarzi, et al.
Published: (2025)

Super-resolution femtosecond electron diffraction reveals electronic and nuclear dynamics at conical intersections
by: Jiang, Hui, et al.
Published: (2025)

Zepto to Attosecond core-level photoemission time delays in homonuclear diatomic molecules and non-dipole effects in the framework of Multiple Scattering theory
by: Tamura, Yoshiaki, et al.
Published: (2024)

What the Boltzmann money game teaches us about statistical mechanics (and maybe economics)
by: Makarov, Dmitrii E.
Published: (2025)

A toy model solved by statistical mechanics for teaching reaction kinetics beyond ideality
by: Brogioli, Doriano, et al.
Published: (2018)

i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations
by: Litman, Yair, et al.
Published: (2024)

Probing valence electron and hydrogen dynamics using charge-pair imaging with ultrafast electron diffraction
by: Wang, Tianyu, et al.
Published: (2025)

Room-temperature quantum sensing with photoexcited triplet electrons in organic crystals
by: Singh, Harpreet, et al.
Published: (2024)