List of works - Motoyuki Shiga - Paulina

List of works by Motoyuki Shiga

Ab initio quantum mechanics/molecular mechanics method with periodic boundaries employing Ewald summation technique to electron-charge interaction: Treatment of the surface-dipole term

scientific article published on 01 March 2019

Artificial neural network-based path integral simulations of hydrogen isotope diffusion in palladium

scientific article published in 2022

Cover Image

scientific article published on 06 August 2021

Mean force based temperature accelerated sliced sampling: Efficient reconstruction of high dimensional free energy landscapes

scientific article published on 16 August 2021

Path integral Brownian chain molecular dynamics: A simple approximation of quantum vibrational dynamics

scientific article published in 2022

Quantum-mechanical hydration plays critical role in the stability of firefly oxyluciferin isomers: State-of-the-art calculations of the excited states

scientific article published on 01 November 2020

Refined metadynamics through canonical sampling using time-invariant bias potential: A study of polyalcohol dehydration in hot acidic solutions

scientific article published on 29 October 2020

The mechanism of sorbitol dehydration in hot acidic solutions

scientific article published on 10 July 2021

Understanding Competition of Polyalcohol Dehydration Reactions in Hot Water

scientific article published on 07 February 2019

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