173 citations · 231 across the 11 of their papers we have counts for
11 papers
Reproducing Reaction Route Map on the Shape Space from its Quotient by Complete Nuclear Permutation-Inversion group
Hiroshi Teramoto, Takuya Saito, Masamitsu Aoki +4
This study develops an algorithm to reproduce reaction route maps (RRMs) in shape space from the outputs of potential search algorithms. To demonstrate this, GRRM is utilized as a…
Characterizing Reaction Route Map of Realistic Molecular Reactions based on Weight Rank Clique Filtration of Persistent Homology
Burai Murayama, Masato Kobayashi, Masamitsu Aoki +5
A reaction route map (RRM) constructed using the GRRM program is a collection of elementary reaction pathways, each of which comprises two equilibrium (EQ) geometries and one trans…
Unimodular families of symmetric matrices
Wojciech Domitrz, Shyuichi Izumiya, Hiroshi Teramoto
We introduce the volume-preserving equivalence among symmetric matrix-valued map-germs which is the unimodular version of Bruce's -equivalence. The key concept to dedu…
Minor-embedding heuristics for large-scale annealing processors with sparse hardware graphs of up to 102,400 nodes
Yuya Sugie, Yuki Yoshida, Normann Mertig +7
Minor embedding heuristics have become an indispensable tool for compiling problems in quadratically unconstrained binary optimization (QUBO) into the hardware graphs of quantum an…
Geometric equivalence among smooth map germs
Shyuichi Izumiya, Masatomo Takahashi, Hiroshi Teramoto
We consider equivalence relations among smooth map germs with respect to geometry of G-structures on the target space germ. These equivalence relations are natural generalization o…
Topology of Pareto sets of strongly convex problems
Naoki Hamada, Kenta Hayano, Shunsuke Ichiki +2
A multiobjective optimization problem is simplicial if the Pareto set and front are homeomorphic to a simplex and, under the homeomorphisms, each face of the simplex corresponds to…
Theory of Gas Phase Scattering and Reactivity for Astrochemistry
Laurent Wiesenfeld, Wing-Fai Thi, Paola Caselli +13
Because of the very peculiar conditions of chemistry in many astrophysical gases (low densities, mostly low temperatures, kinetics-dominated chemical evolution), great efforts have…
A Spectral Clustering Approach to Lagrangian Vortex Detection
Alireza Hadjighasem, Daniel Karrasch, Hiroshi Teramoto +1
One of the ubiquitous features of real-life turbulent flows is the existence and persistence of coherent vortices. Here we show that such coherent vortices can be extracted as clus…
Reactivity Boundaries to Separate the Fate of a Chemical Reaction Associated with Multiple Saddles
Yutaka Nagahata, Hiroshi Teramoto, Chun-Biu Li +2
Reactivity boundaries that divide the origin and destination of trajectories are crucial of importance to reveal the mechanism of reactions, which was recently found to exist robus…
Reactivity Boundaries to Separate the Fate of a Chemical Reaction Associated with an Index-two saddle
Yutaka Nagahata, Hiroshi Teramoto, Chun-Biu Li +2
Reactivity boundaries that divide the destination and the origin of trajectories are of crucial importance to reveal the mechanism of reactions. We investigate whether such reactiv…
Microscopic description of the equality between violation of fluctuation-dissipation relation and energy dissipation
Hiroshi Teramoto, Shin-ichi Sasa
In systems far from equilibrium, the fluctuation-dissipation relation is violated due to the lack of detailed balance. Recently, for a class of Langevin equations, it has been prov…