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High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
Atomic physics plays a key role in astrophysics as astronomers' only information about a particular object comes through the light that it emits, and this light arises through atomic transitions. Molecular astrophysics , developed into a rigorous field of investigation by theoretical astrochemist Alexander Dalgarno beginning in 1967, concerns ...
Listed here are software packages useful for conducting scientific research in astronomy, and for seeing, exploring, and learning about the data used in astronomy. Package Name Pro
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This List of Cosmological Computation Software catalogs the tools and programs used by scientists in cosmological research.. In the past few decades, the accelerating technological evolution has profoundly enhanced astronomical instrumentation, enabling more precise observations and expanding the breadth and depth of data collection by several orders of magnitude.
The SIRIUS software is developed by the group of Sebastian Böcker at the Friedrich Schiller University Jena, Germany and since 2019 together with Bright Giant GmbH.SIRIUS development started in 2009 as a software for identification of the molecular formula by decomposing high-resolution isotope patterns (also called MS1 data). [1]
List of quantum chemistry and solid state physics software; Comparison of software for molecular mechanics modeling; Comparison of nucleic acid simulation software; Molecular design software; Molecule editor; www.molsoft.com
An initial version of ADS, with a database consisting of 40 papers, was created as a proof of concept in 1988. The ADS Abstract Service became available for general use via proprietary network software in April 1993, and it was connected to SIMBAD a few months later. In early 1994 the ADS web-based service was launched, which effectively ...