Parallel hardware has become readily available to the computational chemistry research community. This perspective will review the current state of parallel computational chemistry software utilizing high-performance parallel computing platforms. Hardware and software trends and their effect on quantum chemistry methodologies, algorithms, and software development will also be discussed.

This Letter presents measurements of the differential cross-sections for inclusive electron and muon production in proton-proton collisions at a centre-of-mass energy of root s = 7 TeV, using data collected by the ATLAS detector at the LHC. The muon cross-section is measured as a function of p(T) in the range 4 < p(T) < 100 GeV and within pseudorapidity vertical bar eta vertical bar < 2.5. In addi

We present a study based on four inland eolian locations in Eastern, Central and Southeastern Lithuania belonging to the northeastern part of the 'European Sand Belt' (ESB). Although there have been several previous studies of the ESB, this north-eastern extension has not been investigated before in any detail. The sedimentary structural-textural features are investigated and a chronology was deri

To make good corporate strategy decisions, it is important to have reliable data. When making relocation decisions, it is important to know not only the manufacturing cost but also the production cost, cost model including the cost drivers of the whole production system. This paper presents two cost models of inbound logistics, one to estimate the costs in a current production system in detail and

The aim was to investigate how patients in a clinical setting, combining acute stroke care and rehabilitation, perceived the value and meaning attached to a commonly used instrumental occupation, namely "Brewing coffee and making an open-face cheese sandwich with sliced vegetable". Another aim was to validate the ValMO model, proposing that value and meaning are related phenomena. Upon performing

This study analyzes innovation activities in medium-technology sectors in Germany, Italy and Spain and checks whether cross-country similarities or differences prevail. The results have important implications for the Sectoral Systems of Innovation and the Distance-to-the-Frontier frameworks. While the Sectoral Systems of Innovation predicts the existence of technology-related similarities in innov

Background: Proteases of human pathogens are becoming increasingly important drug targets, hence it is necessary to understand their substrate specificity and to interpret this knowledge in practically useful ways. New methods are being developed that produce large amounts of cleavage information for individual proteases and some have been applied to extract cleavage rules from data. However, the

Dual-broadband rotational coherent anti-Stokes Raman spectroscopy (DB-RCARS) has been investigated for thermometry under high-pressure and high-temperature conditions, in the product gas of fuel-lean hydrocarbon flames up to 1 MPa. Initial calibration measurements made in nitrogen, oxygen, and air, at pressures up to 1.55 MPa and temperatures up to 1800 K, showed good agreement between experimenta

On 23rd November 2009, during the early commissioning of the CERN Large Hadron Collider (LHC), two counter-rotating proton bunches were circulated for the first time concurrently in the machine, at the LHC injection energy of 450 GeV per beam. Although the proton intensity was very low, with only one pilot bunch per beam, and no systematic attempt was made to optimize the collision optics, all LHC

Popular Abstract in Swedish Varje år drabbas cirka 8000 svenska kvinnor av bröstcancer, och antalet nyinsjuknade ökar årligen med någon procent. I Sverige idag finns fler än 90 000 kvinnor som har avslutat eller är under behandling för sjukdomen. Med hjälp av nya återfallsförebyggande läkemedel har prognosen kraftigt förbättrats och 5-årsöverlevnaden är nästan 90 %. Den stora utmaningen i dagens bOne of the great challenges in breast cancer treatment today is to customize adjuvant treatment to each patient’s individual needs. To do this it is necessary to learn more about the prognostic and treatment predictive factors that determine the risk of relapse and response to a certain mode of treatment. This thesis describes studies on the effect of amplified in breast cancer 1 (AIB1), a coactiv

Fix any n≥1. Let X~1,…,X~n be independent random variables. For each 1≤j≤n, X~j is transformed in a canonical manner into a random variable Xj. The Xj inherit independence from the X~j. Let sy and s∗y denote the upper 1y th −−− quantile of Sn=∑nj=1Xj and S∗n=sup1≤k≤nSk, respectively. We construct a computable quantity Q−−y based on the marginal distributions of X1,…,Xn to produce upper and lower b

Walkability is often researched from the perspective of certain physical features in the built environment. However, for this paper, the point of departure was to also treat walking as a transport mode for reaching destinations and performing every-day activities. A conceptual model addressing both perceptions of the built environment and perceived limits due to every-day activities was used as a

Background: Xylose reductase (XR) and xylitol dehydrogenase (XDH) from Pichia stipitis are the two enzymes most commonly used in recombinant Saccharomyces cerevisiae strains engineered for xylose utilization. The availability of NAD+ for XDH is limited during anaerobic xylose fermentation because of the preference of XR for NADPH. This in turn results in xylitol formation and reduced ethanol yield