Viser treff 1981-2000 av 5445

    • Avoiding Electron Spill-Out in QM/MM Calculations on Excited States with Simple Pseudopotentials 

      Marefat Khah, Alireza; Reinholdt, Peter; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob; Hattig, Christof (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-02-07)
      QM/MM calculations of electronic excitations with diffuse basis sets often have large errors due to spill-out of electrons from the quantum subsystem. The Pauli repulsion of the electrons by the environment has to be included to avoid this. We propose transferable atomic all-electron pseudopotentials that can readily be combined with most MM force fields to avoid electron spill-out. QM/MM excitation ...
    • Lithostratigraphy and chemostratigraphy of Triassic black shales on Edgeøya, eastern Svalbard: Implications for understanding Triassic source rock formation on the Norwegian Barents Shelf 

      Wesenlund, Fredrik (Doctoral thesis; Doktorgradsavhandling, 2022-03-25)
      The Norwegian Barents Shelf (NBS) is an Arctic petroleum province with a complex geological history. Current geochemical work on oil discoveries in the region has identified Triassic mudstones as important petroleum source rocks. A review of the published literature found that several source rock-forming processes have been suggested as contributors to their formation. The aim of this thesis is thus ...
    • Measuring Methane in the Arctic Ocean - From legal framework to time series analysis via technology innovation 

      Dølven, Knut Ola (Doctoral thesis; Doktorgradsavhandling, 2022-03-24)
      <p>Understanding how the earth system interacts with ongoing climate change is important to find a realistic route towards a sustainable future. The impact of Arctic seabed methane seepage on contemporary and future climate is still poorly constrained, described, and quantified. An important limiting factor in our understanding of seabed seepage in the Arctic is a lack of in situ measurements; ...
    • Seismic and electrical geophysical characterization of an incipient coastal open-system pingo: Lagoon Pingo, Svalbard 

      Hammock, Craig Paul; Kulessa, Bernd; Hiemstra, John F.; Hodson, Andrew; Hubbard, Alun (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-12-24)
      Whilst there has been a recent appreciation for the role of open-system pingos in providing a fluid-flow conduit through continuous permafrost that enables methane release, the formation and internal structure of these ubiquitous permafrost-diagnostic landforms remains unclear. Here, we combine active-source seismic measurements with electrical resistivity tomography (ERT) to investigate the structural ...
    • Autonomous methane seep site monitoring offshore western Svalbard: hourly to seasonal variability and associated oceanographic parameters 

      Dølven, Knut Ola; Ferré, Benedicte; Silyakova, Anna; Jansson, Pär; Linke, Peter; Moser, Manuel (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-02-18)
      Improved quantification techniques of natural sources are needed to explain variations in atmospheric methane. In polar regions, high uncertainties in current estimates of methane release from the seabed remain. We present unique 10- and 3-month time series of bottom water measurements of physical and chemical parameters from two autonomous ocean observatories deployed at separate intense seabed ...
    • Cracking into Cryoseismology 

      Romeyn, Rowan (Doctoral thesis; Doktorgradsavhandling, 2022-03-22)
      The cryosphere encompasses the seasonally and perennially frozen parts of the earth and its extent is both sensitive to and impacts upon the global climate through surface energy and moisture fluxes and feedbacks. The dynamics of ice and frozen ground also impact directly on, e.g., construction and maintenance of roads in cold regions or transportation across floating ice sheets. The aim of this ...
    • Observed and unobserved heterogeneity in failure data analysis 

      Zaki, Rezgar; Barabadi, Abbas; Barabady, Javad; Qarahasanlou, Ali Nouri (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-06-08)
      In reality, failure data are often collected under diffract operational conditions (covariates), leading to heterogeneity among the data. Heterogeneity can be classified as observed and unobserved heterogeneity. Un-observed heterogeneity is the effect of unknown, unrecorded, or missing covariates. In most reliability studies, the effect of unobserved covariates is neglected. This may lead to inaccurate ...
    • Photonic-chip: a multimodal imaging tool for histopathology 

      Villegas, Luis; Dubey, Vishesh Kumar; Tinguely, Jean-Claude; Coucheron, David Andre; Priyadarshi, Anish; Acuña Maldonado, Sebastian Andres; Agarwal, Krishna; Mateos, Jose M; Nystad, Mona; Hovd, Aud-Malin Karlsson; Fenton, Kristin Andreassen; Ahluwalia, Balpreet Singh (Conference object; Konferansebidrag, 2021-04)
      We propose the photonic-chip as a multimodal imaging platform for histopathological assessment, allowing large fields-of-view across diverse microscopy methods including total internal reflection fluorescence and single-molecule localization.
    • Deep Semisupervised Teacher–Student Model Based on Label Propagation for Sea Ice Classification 

      Khaleghian, Salman; Ullah, Habib; Kræmer, Thomas; Eltoft, Torbjørn; Marinoni, Andrea (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-10-14)
      In this article, we propose a novelteacher–student-based label propagation deep semisupervised learning (TSLP-SSL) method for sea ice classification based on Sentinel-1 synthetic aperture radar data. For sea ice classification, labeling the data precisely is very time consuming and requires expert knowledge. Our method efficiently learns sea ice characteristics from a limited number of labeled samples ...
    • ExtremeEarth meets satellite data from space 

      Hagos, Desta Haileselassie; Kakantousis, Theofilos; Vlassov, Vladimir; Sheikholeslami, Sina; Wang, Tianze; Dowling, Jim; Paris, Claudia; Marinelli, Daniele; Weikmann, Giulio; Bruzzone, Lorenzo; Khaleghian, Salman; Kræmer, Thomas; Eltoft, Torbjørn; Marinoni, Andrea; Pantazi, Despina-Athanasia; Stamoulis, George; Bilidas, Dimitris; Papadakis, George; Mandilaras, George; Koubarakis, Manolis; Troumpoukis, Antonis; Konstantopoulos, Stasinos; Muerth, Markus; Appel, Florian; Fleming, Andrew; Cziferszky, Andreas (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-08-26)
      Bringing together a number of cutting-edge technologies that range from storing extremely large volumes of data all the way to developing scalable machine learning and deep learning algorithms in a distributed manner and having them operate over the same infrastructure poses unprecedented challenges. One of these challenges is the integration of European Space Agency (ESA)’s Thematic Exploitation ...
    • Next frontiers in energy system modelling: A review on challenges and the state of the art 

      Fodstad, Marte; Crespo del Granado, Pedro; Hellemo, Lars; Knudsen, Brage Rugstad; Pisciella, Paolo; Silvast, Antti; Bordin, Chiara; Schmidt, Sarah; Straus, Julian (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-02-26)
      Energy Systems Modelling is growing in relevance on providing insights and strategies to plan a carbon-neutral future. The implementation of an effective energy transition plan faces multiple challenges, spanning from the integration of the operations of different energy carriers and sectors to the consideration of multiple spatial and temporal resolutions. In this review, we outline these challenges ...
    • Results of the Dragon 4 Project on New Ocean Remote Sensing Data for Operational Applications 

      Gibert, Ferran; Boutin, Jacqueline; Dierking, Wolfgang Fritz Otto; Granados, Alba; Li, Yan; Makhoul, Eduard; Meng, Junmin; Supply, Alexandre; Vendrell, Ester; Vergely, Jean-Luc; Wang, Jin; Yang, Jungang; Xiang, Kunsheng; Yin, Xiaobin; Zhang, Xi (Journal article; Tidsskriftsartikkel, 2021-07-20)
      This paper provides an overview of the Dragon 4 project dealing with operational monitoring of sea ice and sea surface salinity (SSS) and new product developments for altimetry data. To improve sea ice thickness retrieval, a new method was developed to match the Cryosat-2 radar waveform. Additionally, an automated sea ice drift detection scheme was developed and tested on Sentinel-1 data, and the ...
    • The influence of surface charge on the coalescence of ice and dust particles in the mesosphere and lower thermosphere 

      Baptiste, Joshua; Williamson, Connor; Fox, John; Stace, Anthony J.; Hassan, Muhammad; Braun, Stefanie; Stamm, Benjamin; Mann, Ingrid; Besley, Elena (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-06-09)
      Agglomeration of charged ice and dust particles in the mesosphere and lower thermosphere is studied using a classical electrostatic approach, which is extended to capture the induced polarisation of surface charge. Collision outcomes are predicted whilst varying the particle size, charge, dielectric constant, relative kinetic energy, collision geometry and the coefficient of restitution. In ...
    • IA-SSLM: Irregularity-Aware Semi-Supervised Deep Learning Model for Analyzing Unusual Events in Crowds 

      Aljaloud, Abdulaziz Salamah; Ullah, Habib (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-05-17)
      Analyzing unusual events is significantly important for video surveillance to ensure people safety. These events are characterized by irregular patterns that do not conform to the expected behavior in the surveillance scenes. We present a novel irregularity-aware semi-supervised deep learning model (IA-SSLM) for detection of unusual events. While most existing works depend on the availability ...
    • Metallo-β-Lactamase Inhibitor Phosphonamidate Monoesters 

      Palica, Katarzyna; Vorácová, Manuela; Skagseth, Susann; Andersson Rasmussen, Anna; Allander, Lisa; Hubert, Madlen; Sandegren, Linus; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdélyi, Máté (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-01-25)
      Being the second leading cause of death and the leading cause of disability-adjusted life years worldwide, infectious diseases remain-contrary to earlier predictions-a major consideration for the public health of the 21st century. Resistance development of microbes to antimicrobial drugs constitutes a large part of this devastating problem. The most widely spread mechanism of bacterial resistance ...
    • Conditions for Topside Ion Line Enhancements 

      Rexer, Theresa; Leyser, Thomas; Gustavsson, Björn Johan; Rietveld, Michael T. (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-06-17)
      Enhanced ion line spectra as a response to magnetic field-aligned high frequency (HF) pumping of the overdense polar ionosphere with left-handed circular polarization, can be observed at the top and bottomside F-region ionosphere under certain conditions. The European Incoherent Scatter (EISCAT) UHF radar was directed in magnetic zenith on October 18th and 19th, 2017 while stepping the pump ...
    • A transparent waveguide chip for versatile total internal reflection fluorescence-based microscopy and nanoscopy 

      Priyadarshi, Anish; Wolfson, Deanna; Ahmad, Azeem; Jayakumar, Nikhil; Dubey, Vishesh Kumar; Tinguely, Jean-Claude; Ahluwalia, Balpreet Singh; Murugan, Ganapathy Senthil (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-08-20)
      Total internal reflection fluorescence (TIRF) microscopy is an imaging technique that, in comparison to confocal microscopy, does not require a trade-off between resolution, speed, and photodamage. Here, we introduce a waveguide platform for chip-based TIRF imaging based on a transparent substrate, which is fully compatible with sample handling and imaging procedures commonly used with a standard ...
    • Electrochemical Potential of the Metal Organic Framework MIL-101(Fe) as Cathode Material in Li-Ion Batteries 

      Keshavarz, Fatemeh; Kadek, Marius; Barbiellini, Bernardo; Bansil, Arun (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-06-16)
      We discuss the characteristic factors that determine the electrochemical potentials in a metal-organic framework used as cathode for Li-ion batteries via density functional theory-based simulations. Our focus is on MIL-101(Fe) cathode material. Our study gives insight into the role of local atomic environment and structural deformations in generating electrochemical potential.
    • Electrochemical degradation of per- and poly-fluoroalkyl substances using boron-doped diamond electrodes 

      Uwayezu, Jean Noel; Carabante, Ivan; Lejon, Tore; van Hees, Patrick; Karlsson, Patrik; Hollman, Patrik; Kumpiene, Jurate (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-04-16)
      Electrochemical degradation using boron-doped diamond (BDD) electrodes has been proven to be a promising technique for the treatment of water contaminated with per- and poly-fluoroalkyl substances (PFAS). Various studies have demonstrated that the extent of PFAS degradation is influenced by the composition of samples and electrochemical conditions. This study evaluated the significance of several ...
    • The Story of 5d Metallocorroles: From Metal–Ligand Misfits to New Building Blocks for Cancer Phototherapeutics 

      Alemayehu, Abraham; Thomas, Kolle E.; Einrem, Rune Finsås; Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-07-23)
      CONSPECTUS: Porphyrin chemistry is Shakespearean: over a century of study has not withered the field’s apparently infinite variety. Heme proteins continually astonish us with novel molecular mechanisms, while new porphyrin analogues bowl us over with unprecedented optical, electronic, and metal-binding properties. Within the latter domain, corroles occupy a special place, exhibiting a unique ...