MLatom: A program package for quantum chemical research assisted by machine learning
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26004
Abstract: MLatom is a program package designed for computationally efficient simulations of atomistic systems with machine‐learning (ML) algorithms. It can be used out‐of‐the‐box as a stand‐alone program with a user‐friendly online manual. The use of MLatom… read more here.
Keywords: program package; machine learning; mlatom program; program ... See more keywords
Program Package for the Calculation of Origin-Independent Electron Current Density and Derived Magnetic Properties in Molecular Systems
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.0c01136
Abstract: We present SYSMOIC, a program package for the calculation of the origin-independent current density induced at first order by an external magnetic field in planar and nonplanar molecular systems. Origin independence is obtained adopting the… read more here.
Keywords: current density; package calculation; program package; density ... See more keywords
Assessment of earthquake hazard for the northwestern Vietnam from geological and geophysical data using an original program package
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Volcanology and Seismology"
DOI: 10.1134/s0742046317020063
Abstract: The highest seismic activity in Vietnam is observed in the northwest of the country, hence the practical significance of more accurate assessment of the earthquake hazard for the area. The worldwide experience of seismicity, in… read more here.
Keywords: geological geophysical; program package; earthquake hazard; geophysical data ... See more keywords