N. Sukumar

This book delves into the foundational principles governing the treatment of molecular networks and "chemical space"—the comprehensive domain encompassing all physically achievable molecules—from the perspectives of vector space, graph theory, and data science. It explores similarity kernels, network measures, spectral graph theory, and random matrix theory, weaving intriguing connections between these diverse subjects. Notably, it emphasizes the visualization of molecular networks. The exploration continues by delving into contemporary generative deep learning models, increasingly pivotal in the pursuit of new materials possessing specific properties, showcasing some of the most compelling advancements in this field. Concluding with a discussion on the meanings of discovery, creativity, and the role of artificial intelligence (AI) therein.Its primary audience comprises senior undergraduate and graduate students specializing in physics, chemistry, and materials science. Additionally, it caters to those interested in the potential transformation of material discovery through computational, network, AI, and machine learning (ML) methodologies.

This book studies the exclusion and discrimination that is meted out to Scheduled Caste (SC) students in the Indian Higher Education system, and the psychosocial consequences of such practices. It foregrounds the conceptual debates around caste, exclusion, and reservations in Indian academia, discussing the social dominance and the roots of prejudices in the university spaces.The volume re?ects upon the fragile social world in which students from the margins struggle for survival in the academic space. It reveals that these students navigate the various facets of academia – like classrooms, pedagogy, scholarships, hostels, peer groups, and teachers – only to ?nd the academic space a dystopian universe. The book also sheds light on suicide cases committed by the marginalized groups as a testimony of protest.Based on in-depth ethnographic research, this book will be of interest to teachers, students and researchers of education, sociology, political science, psychology, and exclusion studies. It will also be useful for policymakers, social activists, NGOs, research centers, and those working in higher education, reservations, public policy, caste, and exclusion studies.

This book studies the exclusion and discrimination that is meted out to Scheduled Caste (SC) students in the Indian Higher Education system, and the psychosocial consequences of such practices. It foregrounds the conceptual debates around caste, exclusion, and reservations in Indian academia, discussing the social dominance and the roots of prejudices in the university spaces.The volume re?ects upon the fragile social world in which students from the margins struggle for survival in the academic space. It reveals that these students navigate the various facets of academia – like classrooms, pedagogy, scholarships, hostels, peer groups, and teachers – only to ?nd the academic space a dystopian universe. The book also sheds light on suicide cases committed by the marginalized groups as a testimony of protest.Based on in-depth ethnographic research, this book will be of interest to teachers, students and researchers of education, sociology, political science, psychology, and exclusion studies. It will also be useful for policymakers, social activists, NGOs, research centers, and those working in higher education, reservations, public policy, caste, and exclusion studies.

This new edition of An Aid to the MRCP Paces Volume 2: Stations 2 and 4 has been fully revised and updated, and reflects feedback from PACES candidates as to which cases frequently appear in each station. The cases and scenarios have been written in accordance with the latest examining and marking schemes used for the exam providing an invaluable training and revision aid for all MRCP PACES candidates.

The origins and significance of electron density in the chemical, biological, and materials sciences Electron density is one of the fundamental concepts underlying modern chemistry and one of the key determinants of molecular structure and stability. It is also the basic variable of density functional theory, which has made possible, in recent years, the application of the mathematical theory of quantum physics to chemical and biological systems. With an equal emphasis on computational and philosophical questions, A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences addresses the foundations, analysis, and applications of this pivotal chemical concept. The first part of the book presents a coherent and logically connected treatment of the theoretical foundations of the electron density concept. Discussion includes the use of probabilities in statistical physics; the origins of quantum mechanics; the philosophical questions at the heart of quantum theory, like quantum entanglement; and methods for the experimental determination of electron density distributions. The remainder of the book deals with applications of the electron density concept in the chemical, biological, and materials sciences. Contributors offer insights on how a deep understanding of the origins of chemical reactivity can be gleaned from the concepts of density functional theory. Also discussed are the applications of electron density in molecular similarity analysis and electron density-derived molecular descriptors, such as electrostatic potentials and local ionization energies. This section concludes with some applications of modern density functional theory to surfaces and interfaces. An essential reference for students as well as quantum and computational chemists, physical chemists, and physicists, this book offers an unparalleled look at the development of the concept of electron density from its inception to its role in density functional theory, which led to the 1998 Nobel Prize in Chemistry.