243 research outputs found
Daily Dying: The Gateway to Living Well
No full textDr. Ravi Ravindra marries deep studies in both science and comparative religions to explore important questions of our age. In this community conversation, he will help us explore how holding an understanding of our own mortality can enrich our living.
Dr. Ravindra’s spiritual search has led him to the teachings of J. Krishnamurti, G. I. Gurdjieff, Zen, Yoga, and a deep immersion in the mystical teachings of the Indian and Christian classical traditions. He is the author of several books on religion, science, mysticism, and spirituality, including Whispers from the Other Shore: Spiritual Search--East and West, and Science and the Sacred: Eternal Wisdom in a Changing World.
Using these lenses, Dr. Ravindra will help us explore the questions that facing our own mortality brings to the surface, both personally and culturally. Mainstream American culture has a paradoxical relationship with dying. On the one hand, our media focuses on death through violence and war, and on the other hand, although we are all moving toward death from the moment of our birth, we turn away from the intimacy of considering our own dying or the death of those we love
Benchmarking Quantum Chemical Methods for Optical Absorption in Boron Wheels
No full textWe benchmark various quantum chemical
methods for calculating the
optical absorption in planar boron wheel clusters. The geometries
of neutral planar boron wheels B7, B8, and B9 clusters are optimized at the coupled-cluster singles doubles
level of theory. The optical absorption spectra of these clusters
are calculated using three wave-function-based methods, namely, configuration
interaction singles, random phase approximation, and equation-of-motion
coupled-cluster singles doubles (EOM-CCSD) as well as using a time-dependent
density-functional-theory-based method using various hybrid and long-range-corrected
exchange and correlation functionals. There is an ample variation
in the optical absorption spectra computed using different density
functionals. When compared to the EOM-CCSD spectrum, an excellent
agreement is provided by CAM-B3LYP functional, followed by ωB97xD
functional. PBE0, B3LYP, and B3PW91 functionals agree among each other.
However, their spectra are red-shifted with respect to the EOM-CCSD
counterpart. On the basis of the natural transition orbital analysis,
the nature of optical excitation is also discussed
Double trouble: exploring the chemical landscape of halide double perovskites
No full textHalide Double Perovskites (HDPs) are an emerging class of materials with chemical formula A2BB’X6 with possible applications in photovoltaics, X-ray detection, sensing, photocatalysis and spintronics.. However, with more than 40,000 potential HDP compositions, much of the chemical landscape remains unexplored. We have generated a database of spin-polarized, hybrid functional (HSE06) electronic structure data of all HPDs with A=Cs that are predicted to be stable based on a tolerance-factor analysis. Our high-throughput workflow also consists or a chemical bonding and orbital projection analysis based on LOBSTER (ww.cohp.de), leading to a comprehensivedatabase of electronic, magnetic and chemical bonding properties of >2700 HDP compositions, which can serve as a starting point for material design and discovery via interpretable machine learning techniques, which we use to identify unexpected trends and relations in the chemical landscape
LARGE-SCALE FIRST PRINCIPLES CONFIGURATION INTERACTION CALCULATIONS OF OPTICAL ABSORPTION IN BORON CLUSTERS
No full textWe have performed systematic large-scale all-electron correlated calculations on boron clusters Bn(n=2–5), to study their linear optical absorption spectra. Several possible isomers of each clus-ter were considered, and their geometries were optimized at the coupled-cluster singles doubles (CCSD) level of theory. Using the optimized ground-state geometries, excited states of differ-ent clusters were computed using the multi-reference singles-doubles configuration-interaction (MRSDCI) approach, which includes electron correlation effects at a sophisticated level. These CI wave functions were used to compute the transition dipole matrix elements connecting the ground and various excited states of different clusters, eventually leading to their linear absorp-tion spectra. The convergence of our results with respect to the basis sets, and the size of the CI expansion were carefully examined. The contribution of configurations to many body wave-function of various excited states suggests that the excitations involved are collective, plasmonic type
Glenohumeral Translations in Overhead Workers with Sub-Acromial Impingement Syndrome: A Review
Full text linkIntroduction: The third most common musculoskeletal condition is shoulder pain with a prevalence of up to 70%. The second most frequent shoulder condition is subacromial impingement syndrome. Impingement can be classified as either anterosuperior or posterosuperior. Faulty posture, altered scapular or glenohumeral kinematics, posterior capsular tightness, and acromial or coracoacromial arch pathology are all potential extrinsic mechanics that can lead to Subacromial impingement syndrome. The purpose of this review is to find the different variation in translation that takes place in the glenohumeral joint in Subacromial impingement syndrome in overhead workers.
Methods: We performed a review of the various translations observed in the glenohumeral joint in subacromial impingement syndrome and discussed the evidence-based studies. For the review, an electronic search for relevant articles using PUBMED, Pedro, Research Gate, and Google Scholar databases up to Dec 2022 was done wherein MeSH search terms and free words were used. Articles underwent the selection process and were selected on the basis of inclusion criteria. Articles were selected based on the author\u27s expertise, self-knowledge and reflective practice.
Results: The current study included 11 articles that fulfilled the inclusion criteria suggesting that various humeral translations in overhead workers. The above-reviewed studies provided evidence that based on occupational demands abnormal variations occur.
Conclusion: This review has provided an overview of the previous and recent literature on humeral head translation seen in sub-acromial impingement. This study concludes that superior translation is more common as compared to anterior-superior translation and posterior-superior translation
First principles electron-correlated calculations of optical absorption in magnesium clusters
No full textIn this paper, we report large-scale configuration interaction (CI) calculations of linear optical absorption spectra of various isomers of magnesium clusters Mg-n (n = 2-5), corresponding to valence transitions. Geometry optimization of several low-lying isomers of each cluster was carried out using coupled-cluster singles doubles (CCSD) approach, and these geometries were subsequently employed to perform ground and excited state calculations using either the full-CI (FCI) or the multi-reference singles-doubles configuration interaction (MRSDCI) approach, within the frozen-core approximation. Our calculated photoabsorption spectrum of magnesium dimer (Mg-2) is in excellent agreement with the experiments both for peak positions, and intensities. Owing to the sufficiently inclusive electron-correlation effects, these results can serve as benchmarks against which future experiments, as well as calculations performed using other theoretical approaches, can be tested
Emotion deep dive for designers: Seven propositions that operationalize emotions in design innovation
No full textThis paper presents a five-day intense course that teaches “emotion-driven design”(EDD) to graduate students with a broad variety of disciplinary backgrounds at theFaculty of Psychology, Beijing Normal University. We introduce seven principlesdrawn from design-relevant emotion knowledge that informed the design of thecourse’s overall structure, and explain how they guided the development of learningactivities and materials. We envision that this paper will interest design educatorswho aspire teaching how to operationalize emotions in creative design processes tostudents with little preexisting expertise in (or scientific knowledge about) emotionpsychology.Human-Centered DesignDesign Aesthetic
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