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Research data management and related topics: know-how for your research project

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New: Author names in the Research Collection and People Search

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Data management plans for the SNSF

The semi-​annual deadline for applications for project funding from the Swiss National Science Foundation (SNSF) is approaching (1 October 2021). Read more

Recently Added 

  1. Training collective variables for enhanced sampling via neural networks based discriminant analysis 

    Bonati L. (2021)
    Il Nuovo Cimento C
    A popular way to accelerate the sampling of rare events in molecular dynamics simulations is to introduce a potential that increases the fluctuations of selected collective variables. For this strategy to be successful, it is critical to choose appropriate variables. Here we review some recent developments in the data-driven design of collective variables, which combine Fisher's discriminant analysis and neural networks. This approach ...
    Journal Article
  2. OPES: On-the-fly probability enhanced sampling method 

    Invernizzi M. (2021)
    Il Nuovo Cimento C
    Molecular simulations are playing an ever-increasing role, finding applications in fields as varied as physics, chemistry, biology and material science. However, many phenomena of interest take place on time scales that are out of reach for standard molecular simulations. This is known as the sampling problem and over the years several enhanced sampling methods have been developed to mitigate this issue. We propose a unified approach that ...
    Conference Paper
  3. TFEB-mediated endolysosomal activity controls human hematopoietic stem cell fate 

    García-Prat L.; Kaufmann K.B.; Schneiter F.; et al. (2021)
    Cell Stem Cell
    It is critical to understand how human quiescent long-term hematopoietic stem cells (LT-HSCs) sense demand from daily and stress-mediated cues and then transition into bioenergetically active progeny to differentiate and meet these cellular needs. However, the demand-adapted regulatory circuits of these early steps of hematopoiesis are largely unknown. Here we show that lysosomes, sophisticated nutrient-sensing and signaling centers, are ...
    Journal Article
  4. Notes on the creation and manipulation of solid solution models 

    Myhill R.; Connolly J.A.D. (2021)
    Contributions to Mineralogy and Petrology
    A large class of solid solution models are formulated on the premise that exchange of chemical species takes place on a finite number of unique crystallographic sites, and that the thermodynamic properties of the solution are a function of the proportions of species occupying each of the sites. These models are broadly classified as being of Bragg–Williams-type. They form an excellent first order approximation of non-ideal mixing and ...
    Journal Article
  5. Feasibility of portable NIR spectrometer for quality assurance in glue-laminated timber production 

    Sandak J.; Niemz P.; Hänsel A.; et al. (2021)
    Construction and Building Materials
    The feasibility of a portable NIR sensor for off-line determination of diverse wood quality aspects relevant in the production of glue-laminated timber was demonstrated. The best performance was noticed for assessing wood moisture content, with a lower capacity to estimate wood density and mechanical properties. NIR spectroscopy was modestly capable of predicting surface roughness. However, the traceability of the raw resources and the ...
    Journal Article

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