Population analysis and the effects of Gaussian basis set quality and quantum mechanical approach: main group through heavy element species

Atomic charge and its distribution across molecules provide important insight into chemical behavior. Though there are many studies on various routes for the determination of atomic charge, there are few studies that examine the broader impact of basis set and quantum method used over many types of population analysis methods across the periodic table. Largely, such a study of population analysis has focused on main-group species. In this work, atomic charges were calculated using several population analysis methods including orbital-based methods (Mulliken, Löwdin, and Natural Population Analysis), volume-based methods (Atoms-in-Molecules (AIM) and Hirshfeld), and potential derived charges (CHELP, CHELPG, and Merz-Kollman). The impact of basis set and quantum mechanical method choices upon population analysis has been considered. The basis sets utilized include Pople (6-21G**, 6-31G**, 6-311G**) and Dunning (cc-pVnZ, aug-cc-pVnZ; n = D, T, Q, 5) basis sets for main group molecules. For the transition metal and heavy element species examined, relativistic forms of the correlation consistent basis sets were used. This is the first time the cc-pVnZ-DK3 and cc-pwCVnZ-DK3 basis sets have been examined with respect to their behavior across all levels of basis sets for atomic charges for an actinide. The quantum methods chosen include two density functional (PBE0 and B3LYP), Hartree-Fock, and second-order Møller-Plesset perturbation theory (MP2) approaches

Skills in England 2003: Volume 1, key messages

Skills in England 2003 is presented in four volumes this year. Volume 1 provides key messages and an overview of the research findings in the other three volumes. Volume 2 is the main research report. This year, as well as containing the same core of information as in previous years – separate chapters on skills supply, skills demand, mismatches between demand and supply, and future skill needs – it also contains other chapters that look at issues which are particularly topical this year. To this end, a chapter is contained on the latest developments in policy given the publication of several important policy documents since last year’s Skills in England report. Given the emphasis in policy on stimulating the demand for skills, a chapter is presented on the links between investments in skills and training and organisational performance. It is important to recognise that the benefits of economic growth and investments in training and skills do not affect everyone equally. There are groups in society that fail to obtain advantage from training and skills development and to illustrate this a chapter on social exclusion and equality of opportunity has been included this year. An important element of combating social exclusion has been the use of labour market programmes such as New Deal. Labour market programmes often contain a large element devoted to training of one kind or another and have been an important tool of labour market policy in many European countries. Arguably there is much more emphasis on active labour market policy in Britain today than hitherto with programmes such as New Deal, so a chapter has been devoted to this aspect of skills development. Finally Volumes 3 and 4 provide evidence related to industrial sector and regional/local trends respectively

Skills in England 2003: Volume 2, research report

Skills in England 2003 is presented in four volumes this year. Volume 1 provides key messages and an overview of the research findings in the other three volumes. Volume 2 is the main research report and this year, as well as containing the same core of information as in previous years - separate chapters on skills supply, skills demand, mismatches between demand and supply, and future skill needs - also contains other chapters that look at issues which are particularly topical this year. To this end a chapter is contained on the latest developments in policy given the publication of several important policy documents since last year's Skills in England report. Given the emphasis in policy on stimulating the demand for skills, a chapter is presented on the links between investments in skills and training and organisational performance. It is also important to recognise that the benefits of economic growth and investments in training and skills do not affect everyone equally. There are groups in society who fail to obtain advantage from training and skills development and to illustrate this a chapter on social exclusion and equality of opportunity has been included this year. An important element of combating social exclusion has been the use of labour market programmes such as New Deal. Labour market programmes often contain a large element devoted to training of one kind or another and have been an important tool of labour market policy in many European countries. Arguably there is much more emphasis on active labour market policy in Britain today than hitherto with programmes such as New Deal, so a chapter has been devoted to this aspect of skills development. Finally, Volumes 3 and 4 provide evidence related to industrial sector and regional/local trends respectively. Terence Hogarth Rob Wilson Joint editors Skills in England 200

Leveraging the Power of SAR Observations for Forest Monitoring Systems

Earth observations from Synthetic Aperture Radar (SAR) can provide unique information related to forest structure and condition. Despite the many advantages of SAR, particularly where clouds impede optical observations, a knowledge gap has prevented the applied remote sensing community from harnessing its full potential. Here, we discuss the results of a collaboration between SERVIR, a joint program between NASA and the U.S. Agency for International Development (USAID), and SilvaCarbon, the United States' contribution to the Global Forest Observation Initiative, to build global capacity in using SAR for forest monitoring and biomass estimation. This includes primarily the creation of 1) The SAR Handbook: Comprehensive Methodologies for Forest Monitoring and Biomass Estimation, 2) a series of international hands-on trainings and training materials, 3) quick-reference guides illustrating SAR concepts, and 4) animated videos explaining how SAR works. The SERVIR-Global community joined efforts to develop a hands-on guide to support decision-makers in the forestry community to leverage the power of SAR technology to better protect and manage forest resources. We worked with world-renowned SAR experts to provide targeted trainings and develop the SAR Handbook. This handbook consists of approachable theoretical background and applied content that contributes to filling the knowledge gap in the applied use of SAR technology for forestry applications. We hope that forest managers and remote sensing specialists will use these materials to benefit from currently available SAR datasets, as well as prepare for future SAR missions, such as NISAR and BIOMASS. Since its release on April 11, 2019, the SAR Handbook has been accessed more than 100,000 times in less than a month, demonstrating the remote sensing community's urgent need and interest to learn and use SAR

The success of the Montreal Protocol in mitigating interactive effects of stratospheric ozone depletion and climate change on the environment

The Montreal Protocol and its Amendments have been highly effective in protecting the stratospheric ozone layer, preventing global increases in solar ultraviolet-B radiation (UV-B; 280-315 nm) at Earth's surface, and reducing global warming. While ongoing and projected changes in UV-B radiation and climate still pose a threat to human health, food security, air and water quality, terrestrial and aquatic ecosystems, and construction materials and fabrics, the Montreal Protocol continues to play a critical role in protecting Earth's inhabitants and ecosystems by addressing many of the United Nations Sustainable Development Goals.Non peer reviewe

Cross-cultural conceptualization of a good end of life with dementia: A qualitative study

BACKGROUND: Research on the nature of a "good death" has mostly focused on dying with cancer and other life-limiting diseases, but less so on dementia. Conceptualizing common cross-cultural themes regarding a good end of life in dementia will enable developing international care models. METHODS: We combined published qualitative studies about end of life with dementia, focus group and individual interviews with the researchers, and video-conferencing and continuous email discussions. The interviews were audio-recorded and transcribed verbatim. The data were analyzed thematically, and the researchers developed common themes referring to their original studies. RESULTS: Fourteen qualitative researchers representing 14 cross-cultural studies covering qualitative data of 121 people with dementia and 292 family caregivers. The researchers and data were from eight countries UK, The Netherlands, Japan, Portugal, Germany, Canada, Brazil, and Ireland. Three focus groups, five individual interviews, and video-conferencing were conducted and feedback on multiple iterations was gained by 190 emails between May 2019 and April 2020 until consensus was achieved. Nine cross-culturally common themes emerged from the discussions and shared interpretation of the data of persons with dementia and family caregivers. Three represent basic needs: "Pain and Symptoms Controlled," "Being Provided Basic Care," and "A Place like Home." Other themes were "Having Preferences Met," "Receiving Respect as a Person," "Care for Caregivers," "Identity Being Preserved," "Being Connected," and "Satisfaction with Life and Spiritual Well-being." "Care for Caregivers" showed the greatest difference in emphasis across cultures. Good relationships were essential in all themes. CONCLUSIONS: The common cross-cultural themes comprise a framework underpinned by value placed on personhood and dignity, emphasizing that interdependency through relationships is essential to promote a good end of life with dementia. These themes and valuing the importance of relationships as central to connecting the themes could support care planning and further development of a dementia palliative care model. TRIAL REGISTRATION: The Graduate School and Faculty of Medicine Kyoto University (R1924-1)

A General Purpose Transpiler for Fully Homomorphic Encryption

Fully homomorphic encryption (FHE) is an encryption scheme which enables computation on encrypted data without revealing the underlying data. While there have been many advances in the field of FHE, developing programs using FHE still requires expertise in cryptography. In this white paper, we present a fully homomorphic encryption transpiler that allows developers to convert high-level code (e.g., C++) that works on unencrypted data into high-level code that operates on encrypted data. Thus, our transpiler makes transformations possible on encrypted data. Our transpiler builds on Google's open-source XLS SDK (https://github.com/google/xls) and uses an off-the-shelf FHE library, TFHE (https://tfhe.github.io/tfhe/), to perform low-level FHE operations. The transpiler design is modular, which means the underlying FHE library as well as the high-level input and output languages can vary. This modularity will help accelerate FHE research by providing an easy way to compare arbitrary programs in different FHE schemes side-by-side. We hope this lays the groundwork for eventual easy adoption of FHE by software developers. As a proof-of-concept, we are releasing an experimental transpiler (https://github.com/google/fully-homomorphic-encryption/tree/main/transpiler) as open-source software