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Autocatalytic amplification of Alzheimer-associated Aβ42 peptide aggregation in human cerebrospinal fluid
Autocatalytic amplification of Alzheimer-associated Aβ42 peptide aggregation in human cerebrospinal fluid.
Short laws for finite groups and residual finiteness growth
We prove that for every
Re-caching by Western scrub-jays (Aphelocoma californica) cannot be attributed to stress.
Western scrub-jays (Aphelocoma californica) live double lives, storing food for the future while raiding the stores of other birds. One tactic scrub-jays employ to protect stores is "re-caching"-relocating caches out of sight of...
Using Parameter Constraints to Choose State Structures in Cost-Effectiveness Modelling.
BACKGROUND: This article addresses the choice of state structure in a cost-effectiveness multi-state model. Key model outputs, such as treatment recommendations and prioritisation of future research, may be sensitive to state...
General Approach for Multireference Ground and Excited States Using Nonorthogonal Configuration Interaction.
A balanced description of ground and excited states is essential for the description of many chemical processes. However, few methods can handle cases where static correlation is present, and often these scale very unfavorably...
Reaching Full Correlation through Nonorthogonal Configuration Interaction
Nonorthogonal multireference methods can predict statically correlated adiabatic energies while providing chemical insight through the combination of diabatic reference states. However, reaching quantitative accuracy using...
A stochastic approach to unitary coupled cluster.
Unitary coupled cluster (UCC), originally developed as a variational alternative to the popular traditional coupled cluster method, has seen a resurgence as a functional form for use on quantum computers. However, the number of...
An apparatus for measuring nonlinear viscoelasticity of minerals at high temperature
We describe a high-temperature, uniaxial creep apparatus designed to investigate nonlinear attenuation of materials over a wide range of
temperatures (25–1300 ○C) using forced oscillations combined with a bias stress. This...
Holomorphic Hartree-Fock Theory
We explore the existence and behavior of holomorphic restricted Hartree-Fock (h-RHF) solutions for two-electron problems. Through algebraic geometry, the exact number of solutions with n basis functions is rigorously identified...
Multireference Stochastic Coupled Cluster.
We describe a modification of the stochastic coupled cluster algorithm that allows the use of multiple reference determinants. By considering the secondary references as excitations of the primary reference and using them to...
Complex adiabatic connection
Processes related to electronically excited states are central in many areas of science; however, accurately determining excited-state energies remains a major challenge in theoretical chemistry. Recently, higher energy...
Using SCF metadynamics to extend density matrix embedding theory to excited states.
A new framework based on density matrix embedding theory (DMET) capable of directly targeting excited electronic states is proposed and implemented. DMET has previously been shown to be an effective method of calculating the...
Trade-Off between Redox Potential and the Strength of Electrochemical CO2 Capture in Quinones.
Electrochemical carbon dioxide capture recently emerged as a promising alternative approach to conventional energy-intensive carbon-capture methods. A common electrochemical capture approach is to employ redox-active molecules...
Multilevel and Quasi Monte Carlo Methods for the Calculation of the Expected Value of Partial Perfect Information.
Wei Fang, Zhenru Wang, Michael B Giles, Chris H Jackson, Nicky J Welton, Christophe Andrieu, Howard Thom
Jan 28, 2022
The expected value of partial perfect information (EVPPI) provides an upper bound on the value of collecting further evidence on a set of inputs to a cost-effectiveness decision model. Standard Monte Carlo estimation of EVPPI is...
Theory and implementation of a novel stochastic approach to coupled cluster.
We present a detailed discussion of our novel diagrammatic coupled cluster Monte Carlo (diagCCMC) [Scott et al. J. Phys. Chem. Lett. 10, 925 (2019)]. The diagCCMC algorithm performs an imaginary-time propagation of the...
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