Results 31 to 40 of about 137,993 (255)
Differentiable matrix product states for simulating variational quantum computational chemistry [PDF]
Quantum, 2023 Quantum Computing is believed to be the ultimate solution for quantum chemistry problems. Before the advent of large-scale, fully fault-tolerant quantum computers, the variational quantum eigensolver (VQE) is a promising heuristic quantum algorithm to ...
Chu Guo +3 more
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Application of fermionic marginal constraints to hybrid quantum algorithms
New 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
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Introduction to “Quantum computing for chemistry, material science and biotechnology” [PDF]
Digital DiscoveryMatthias 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
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Hybrid Quantum-Classical Eigensolver without Variation or Parametric Gates
Quantum 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
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Predicting band gaps of semiconductors with quantum chemistry [PDF]
EPJ 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
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Quantum simulation of quantum field theories as quantum chemistry
Journal 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
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Gas-phase Chemistry in the Interstellar Medium: The Role of Laboratory Astrochemistry
Frontiers 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
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FEBS 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
Reconstructing enzyme evolution by protein engineering
FEBS Letters, EarlyView.Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler +2 more
wiley +1 more source
Discerning protein pools by selective staining with self‐labeling tags
FEBS Letters, EarlyView.Cell surface proteins have an intra‐ and extracellular pool. Combining genetic fusion to self‐labeling tags that can be addressed with small molecule fluorophores allows separating these pools. We highlight recent developments and techniques for state‐of‐the‐art interrogation of cell surface proteins in the complex tissue setting.
Kati Fischermanns, Johannes Broichhagen
wiley +1 more source