相关论文: Implementation strategies in phonopy and phono3py
Information processes in the society encourage the formation of a revision of the forms and methods of learning; involve the use of didactic capabilities of information and communication technologies in teaching. No less important in this…
The traditional foundation of science lies on the cornerstones of theory and experiment. Theory is used to explain experiment, which in turn guides the development of theory. Since the advent of computers and the development of…
We present a collection of new, open-source computational tools for numerically modeling recent large-scale observational data sets using modern cosmology theory. Specifically, these tools will allow both students and researchers to…
The aim of this paper is twofold. First, we present a review of different recording options for gathering prosodic data in the event that fieldwork is impracticable (e.g. due to pandemics). Under this light, we mimic a long-distance reading…
In this chapter we first outline some of the popular computing environments used for analysing neural data, followed by a brief discussion of 'software carpentry', basic tools and skills from software engineering that can be of great use to…
Concatenated coding provides a general strategy to achieve the desired level of noise protection in quantum information storage and transmission. We report the implementation of a concatenated quantum error-correcting code able to correct…
Boson is one of the most basic types of particles and preserves the commutation relation. An efficient way to measure a bosonic system is important not only for simulating complex physics phenomena of bosons (such as nuclei) on a qubit…
We develop a multiscale hybrid scheme for simulations of soft condensed matter systems, which allows one to treat the system at the particle level in selected regions of space, and at the continuum level elsewhere. It is derived…
This conference centers on photoionized plasmas, and the tools necessary to understand them. One of the major goals of meetings held between developers of plasma codes is to identify sources of differences between various codes, and resolve…
Cryptographic Protocols (CP) are distributed algorithms intended for secure communication in an insecure environment. They are used, for example, in electronic payments, electronic voting procedures, systems of confidential data processing,…
Raman spectroscopy is a non-destructive and label-free chemical analysis technique, which plays a key role in the analysis and discovery cycle of various branches of science. Nonetheless, progress in Raman spectroscopic analysis is still…
Molecular simulations are an important tool for research in physics, chemistry, and biology. The capabilities of simulations can be greatly expanded by providing access to advanced sampling methods and techniques that permit calculation of…
Over the recent years the importance of numerical experiments has gradually been more recognized. Nonetheless, sufficient documentation of how computational results have been obtained is often not available. Especially in the scientific…
The use of several open source scientific packages in the Schr\"odinger Materials Science Suite will be discussed. A typical workflow for materials discovery will be described, discussing how open source packages have been incorporated at…
The application of code clone technology accelerates code search, improves code reuse efficiency, and assists in software quality assessment and code vulnerability detection. However, the application of code clones also introduces software…
The human cochlea is a remarkable device, able to discern extremely small amplitude sound pressure waves, and discriminate between very close frequencies. Simulation of the cochlea is computationally challenging due to its complex geometry,…
To enhance the undergraduate and graduate engineering education for nanoscale materials, devices and systems, we report a multi-disciplinary course based on the integration of theory, hands-on laboratory and hands-on computation into a…
The reproduction and replication of novel results has become a major issue for a number of scientific disciplines. In computer science and related computational disciplines such as systems biology, the issues closely revolve around the…
Computational physics problems often have a common set of aspects to them that any particular numerical code will have to address. Because these aspects are common to many problems, having a framework already designed and ready to use will…
This dissertation focuses on the development process of scientific software. It presents a methodology that has emerged over time during development of Monte Carlo tools for high energy physics experiments. A short description of the…