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Vibrational properties of molecular crystals are constantly used as structural fingerprints, in order to identify both the chemical nature and the structural arrangement of molecules. The simulation of these properties is typically very costly, especially ...
Scala's type system unifies aspects of ML modules, object-oriented, and functional programming. The Dependent Object Types (DOT) family of calculi has been proposed as a new theoretic foundation for Scala and similar expressive languages. Unfortunately, ty ...
Modern, statically typed programming languages provide various abstraction facilities at both the term- and type-level. Common abstraction mechanisms for types include parametric polymorphism -- a hallmark of functional languages -- and subtyping -- which ...
The performance of contemporary object oriented languages depends on optimizations such as devirtualization, inlining, and specialization, and these in turn depend on precise call graph analysis. Existing call graph analyses do not take advantage of the in ...
We present the design of an object oriented general purpose library for isogeometric analysis, where the mathematical concepts of the isogeometric method and their relationships are directly mapped into classes and their interactions. The encapsulation of ...
Programming systems incorporating aspects of functional programming, e.g., higher-order func- tions, are becoming increasingly popular for large-scale distributed programming. New frameworks such as Apache Spark leverage functional techniques to provide hi ...
Genetic polymorphism in the interferon lambda (IFN-lambda) region is associated with spontaneous clearance of hepatitis C virus (HCV) infection and response to interferon-based treatment. Here, we evaluate associations between IFN-l polymorphism and HCV va ...
We introduce a computational method to discover polymorphs in molecular crystals at finite temperature. The method is based on reproducing the crystallization process starting from the liquid and letting the system discover the relevant polymorphs. This id ...
Scala’s type system unifies aspects of ML modules, object-oriented, and functional programming. The Dependent Object Types (DOT) family of calculi has been proposed as a new theoretic foundation for Scala and similar expressive languages. Unfortunately, ty ...
In this paper, with the example of two different polymorphs of KEu(MoO4)(2), the influence of the ordering of the A-cations on the luminescent properties in scheelite related compounds (A',A '') (B',B '')O-4 is investigated. The polymorphs were synthe ...