175 citations · 261 across the 6 of their papers we have counts for
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Relativistic density functional theory with finite-light-speed correction for the Coulomb interaction: a non-relativistic-reduction based approach
Tomoya Naito, Ryosuke Akashi, Haozhao Liang +1
The Breit correction, the finite-light-speed correction for the Coulomb interaction of the electron-electron interaction in , is introduced to density fu…
AtomREM: Non-empirical seeker of the minimum energy escape paths on many-dimensional potential landscapes without coarse graining
Yuri S. Nagornov, Ryosuke Akashi
Recently a non-empirical stochastic walker algorithm has been developed to search for the minimum-energy escape paths (MEP) from the minima of the potential surface [J. Phys. Soc.…
Completing density functional theory by machine-learning hidden messages from molecules
Ryo Nagai, Ryosuke Akashi, Osamu Sugino
Kohn-Sham density functional theory is the base of modern computational approaches to electronic structures. Their accuracy vitally relies on the exchange-correlation energy functi…
Search for Common Minima in Joint Optimization of Multiple Cost Functions
Daiki Adachi, Naoto Tsujimoto, Ryosuke Akashi +2
We present a novel optimization method, named the Combined Optimization Method (COM), for the joint optimization of two or more cost functions. Unlike the conventional joint optimi…
Stochastic formalism for thermally driven distribution frontier: A nonempirical approach to the potential escape problem
Ryosuke Akashi, Yuri S. Nagornov
We develop a non-empirical scheme to search for the minimum-energy escape paths from the minima of the potential surface to unknown saddle points nearby. A stochastic algorithm is…
Neural-network Kohn-Sham exchange-correlation potential and its out-of-training transferability
Ryo Nagai, Ryosuke Akashi, Shu Sasaki +1
We incorporate in the Kohn-Sham self consistent equation a trained neural-network projection from the charge density distribution to the Hartree-exchange-correlation potential $n \…