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We present a new release of the turboTDDFT code featuring an implementation of hybrid functionals, a recently introduced pseudo-Hermitian variant of the Liouville-Lanczos approach to time-dependent density-functional perturbation theory, and a newly develo ...
A computer implemented method for encrypting one or more files and wrapping them in an HTML document. The HTML document contains the encrypted files, the necessary code to decrypt the files, as well as user interface code to receive a passphrase input from ...
Stream processing has recently gained a prominent role in Computer Science research. From networks or databases to information theory or programming languages, a lot of work has been dedicated to conceive ways of representing, transmitting, processing and ...
Web services, as an aspect of cloud computing, are becoming an important part of the general IT infrastructure, and scientific computing is no exception to this trend. We propose a simple approach to develop chemical web services, through which servers cou ...
We present QMMMW, a new program aimed at performing Quantum Mechanics/Molecular Mechanics (QM/MM) molecular dynamics. The package operates as a wrapper that patches PWscf code included in the QUANTUM ESPRESSO distribution and LAMMPS Molecular Dynamics Simu ...
For years, immersive interfaces using virtual and augmented reality (AR) for molecular visualization and modeling have promised a revolution in the way how we teach, learn, communicate and work in chemistry, structural biology and related areas. However, m ...
We present a large scale database of images and captions, designed for supporting research on how to use captioned images from the Web for training visual classifiers. It consists of more than 125,000 images of celebrities from different fields downloaded ...
We present a large scale database of images and captions, designed for supporting research on how to use captioned images from the Web for training visual classifiers. It consists of more than 125,000 images of celebrities from different fields downloaded ...
The Swiss Federal Institute of Technology in Lausanne (EPFL) has introduced the Moodle Learning Management System (LMS) in 2005. Since then, the number of teachers and users has increased rapidly. With more than 350 active courses hosted on Moodle for this ...
The large-scale adoption of the Web 2.0 paradigm has revolutionized the way we interact with the Web today. End-users, so far mainly passive consumers of information are now becoming active information producers, creating, uploading, and commenting on all ...
