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- Keio UniversityJP10 papers
- Indian Institute of Technology KharagpurIN6 papers
- Academy of Scientific and Innovative ResearchIN3 papers
- Homi Bhabha National InstituteIN3 papers
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- Indian Institute of Science Education and Research PuneIN3 papers
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6 papers · 1 filter
Workflow for practical quantum chemical calculations with quantum phase estimation algorithm: electronic ground and π-π* excited states of benzene and its derivatives†
Yusuke Ino, Misaki Yonekawa, Hideto Yuzawa +2
Quantum computers are expected to perform the full-configuration interaction calculations with less computational resources compared to classical ones, thanks to the use of the qua…
Ab-initio Study of Electronic and Lattice Dynamical Properties of monolayer ZnO under Strain
Saumen Chaudhuri, A. K. Das, G. P. Das +1
First-principles density functional theory based calculations have been performed to investigate the strain-induced modifications in the electronic and vibrational properties of mo…
Projective Quantum Phase Difference Estimation Algorithm for the Direct Computation of Eigenenergy Gaps on a Quantum Computer
Kenji Sugisaki
Quantum computers are capable of calculating the energy gap of two electronic states by using the quantum phase difference estimation (QPDE) algorithm. The Bayesian inference based…
Automorphisms of extensions of Lie-Yamaguti algebras and Inducibility problem
Saikat Goswami, Satyendra Kumar Mishra, Goutam Mukherjee
Lie-Yamaguti algebras generalize both the notions of Lie algebras and Lie triple systems. In this paper, we consider the inducibility problem for automorphisms of extensions of Lie…
Topology of matching complexes of complete graphs via discrete Morse theory
Anupam Mondal, Sajal Mukherjee, Kuldeep Saha
Bouc (1992) first studied the topological properties of , the matching complex of the complete graph of order , in connection with Brown complexes and Quillen complexes. Bj…
Bayesian phase difference estimation algorithm for direct calculation of fine structure splitting: accelerated simulation of relativistic and quantum many-body effects
Kenji Sugisaki, V. S. Prasannaa, Satoshi Ohshima +4
Despite rapid progress in the development of quantum algorithms in quantum computing as well as numerical simulation methods in classical computing for atomic and molecular applica…