Results 51 to 60 of about 3,910,302 (248)
Philosophies, 2020 This paper examines whether classical extensional mereology is adequate for formalizing the whole–parts relation in quantum chemical systems. Although other philosophers have argued that classical extensional and summative mereology does not adequately ...
Marina Paola Banchetti-Robino
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Scalable neural quantum states architecture for quantum chemistry
Machine Learning: Science and Technology, 2023 Variational optimization of neural-network representations of quantum states has been successfully applied to solve interacting fermionic problems. Despite rapid developments, significant scalability challenges arise when considering molecules of large ...
Tianchen Zhao +2 more
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Quantum materials with strong spin-orbit coupling : challenges and opportunities for materials chemists [PDF]
, 2021 ASG acknowledges funding through an EPSRC Early Career Fellowship EP/T011130/1.Spin-orbit coupling is a quantum effect that can give rise to exotic electronic and magnetic states in the compounds of the 4d and 5d transition metals. Exploratory synthesis,
Gibbs, Alexandra +9 more
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How structural disorder and polyelectrolyte properties of prothymosin α enable its large interactome
FEBS Letters, EarlyView.In this review, complexes of the fully disordered and highly negatively charged prothymosin α are collected, described, and discussed. Linked to its poly‐electrostatic character, prothymosin α engages a large interactome through multiple different binding modes ranging from fully disordered complexes to short linear motif (SLiM)‐driven interactions ...
Ketty C. Tamburrini +3 more
wiley +1 more source
Parallel quantum chemistry on noisy intermediate-scale quantum computers
Physical Review Research, 2022 A parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach is based on the reduced density-matrix functional theory (RDMFT) formulation of
Robert Schade +5 more
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Relativistic quantum chemistry: the multiconfigurational approach
, 2004 A multiconfigurational approach to the quantum chemistry of heavy element compounds is described. Relativistic effects are treated in two steps, both based on the Douglas-Kroll Hamiltonian.
Roos, Björn +4 more
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Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes
FEBS Open Bio, EarlyView.Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard +12 more
wiley +1 more source
Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics [PDF]
, 2022 When molecules are coupled to an optical cavity, new light-matter hybrid states, so-called polaritons, are formed due to quantum light-matter interactions.
Michael , Taylor +5 more
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Effect of terahertz irradiation on DNA damage repair in living cells
FEBS Open Bio, EarlyView.We investigated the effect of terahertz (THz) wave irradiation on DNA double‐strand break (DSB) repair in living cells. We found that THz irradiation enhanced DSB repair at specific frequencies, whereas heat treatment inhibited it, indicating that this effect is nonthermal and frequency‐specific.
Yuya Ueno +3 more
wiley +1 more source
NanomaterialsQuantum computing leverages the principles of quantum mechanics in novel ways to tackle complex chemistry problems that cannot be accurately addressed using traditional quantum chemistry methods.
Dominic Alfonso +3 more
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