Results 31 to 40 of about 3,910,302 (248)

Application of fermionic marginal constraints to hybrid quantum algorithms

open access: yesNew Journal of Physics, 2018
Many quantum algorithms, including recently proposed hybrid classical/quantum algorithms, make use of restricted tomography of the quantum state that measures the reduced density matrices, or marginals, of the full state.
Nicholas C Rubin   +2 more
doaj   +1 more source

Quantum Bio-Inorganic Chemistry (QBIC) Society Special Collection

open access: yes, 2022
This Editorial by Guest Editors L. Rulíšek, M. Gruden, M. Orio and QBIC Society President R. J. Deeth summarizes the Chemistry Europe Special Collection on quantum bioinorganic chemistry, published in collaboration with the Quantum Bioinorganic Chemistry
Maylis Orio   +8 more
core   +1 more source

Introduction to “Quantum computing for chemistry, material science and biotechnology” [PDF]

open access: yesDigital Discovery
Matthias Degroote, Joonho Lee and Pauline Ollitrault introduce the Digital Discovery themed collection on “Quantum computing for chemistry, material science and biotechnology”.Matthias Degroote, Joonho Lee and Pauline Ollitrault introduce the Digital ...
Matthias Degroote   +2 more
doaj   +1 more source

Hybrid Quantum-Classical Eigensolver without Variation or Parametric Gates

open access: yesQuantum Reports, 2021
The use of near-term quantum devices that lack quantum error correction, for addressing quantum chemistry and physics problems, requires hybrid quantum-classical algorithms and techniques. Here, we present a process for obtaining the eigenenergy spectrum
Pejman Jouzdani, Stefan Bringuier
doaj   +1 more source

Predicting band gaps of semiconductors with quantum chemistry [PDF]

open access: yesEPJ Web of Conferences, 2020
The following article gives a brief introduction to quantum chemistry and its application to the prediction of band gaps of inorganic and organic semiconductors.
Dittmer Anneke
doaj   +1 more source

Quantum simulation of quantum field theories as quantum chemistry

open access: yesJournal of High Energy Physics, 2020
Conformal truncation is a powerful numerical method for solving generic strongly-coupled quantum field theories based on purely field-theoretic technics without introducing lattice regularization.
Junyu Liu, Yuan Xin
doaj   +1 more source

Gas-phase Chemistry in the Interstellar Medium: The Role of Laboratory Astrochemistry

open access: yesFrontiers in Astronomy and Space Sciences, 2022
“Who” and how? In this simple question the complexity of the interstellar chemistry is encapsulated. “Who” refers to what molecules are present in the interstellar medium (ISM) and “how” to the mechanisms that led to their formation.
Cristina Puzzarini
doaj   +1 more source

2MOLCAS as a development platform for quantum chemistry software

open access: yes, 2004
This work presents the quantum chemistry package MOLCAS, with emphasis on its usefulness as a platform for developing new quantum chemical codes, and the reader is assumed to be familiar with such a process.
Serrano-Andres, Luis   +5 more
core   +2 more sources

Is Quantum Chemistry a Degenerating Research Programme? [PDF]

open access: yes, 2007
This note is intended to address one particular issue in the relative status of Quantum Chemistry in comparison to both Chemistry and Physics. It has been suggested, in the context of the question of the reduction relations between Chemistry and Physics ...
Hettema, Hinne
core  

Salmonella lipopolysaccharide‐containing supported lipid bilayers as platforms to study bacteriophage interactions

open access: yesFEBS Letters, EarlyView.
We present robust protocols for the preparation of supported lipid bilayers (SLBs) incorporating either Salmonella smooth LPS or outer membrane vesicles (OMVs). We use a combination of quartz crystal microbalance with dissipation (QCM‐D) and fluorescence microscopy to both characterize the SLBs of various compositions and to probe their interactions ...
Hudson P. Pace   +6 more
wiley   +1 more source

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