01709nam0 2200397 i 450 CFI004225020251003044114.08814012229IT88-278 20130827d1987 ||||0itac50 baitaitz01i xxxe z01nz01ncRDAcarrierMedici e biologi nella giurisprudenzaEttore Protettì, Carla Protettì BilleMilanoA. Giuffrè1987XXI, 853 p.24 cm.Raccolta sistematica di giurisprudenza commentata. Nuova serie7001CFI00422892001 Raccolta sistematica di giurisprudenza commentata. Nuova serie7BiologiGiurisprudenzaFIRCFIC015745IMediciGiurisprudenzaFIRCFIC015744I344.4504120344.4504121344.450414DIRITTO IN MATERIA DI PERSONALE SANITARIO. ITALIA22Protettì, EttoreCFIV004879070405457Protettì Bille, CarlaCFIV026710070414490Protettì, CarlaCFIV171599Protettì Bille, CarlaITIT-00000020130827IT-BN0095 NAP 01D $CFI0042250Biblioteca Centralizzata di Ateneo 01D (AR) 10 644 01AR 0700106445 VMA (bis 1 v. ( 2. copia)Y 20160621201606211 v. 01D (AR) 8 817 01AR 0070088175 VMA 1 v.Y 2015120120151201 01Medici e biologi nella giurisprudenza61931UNISANNIO04726nam 22007215 450 991073539840332120251113182715.03-031-07658-310.1007/978-3-031-07658-9(MiAaPQ)EBC7024379(Au-PeEL)EBL7024379(CKB)24097299100041(OCoLC)1334106577(DE-He213)978-3-031-07658-9(EXLCZ)992409729910004120220628d2022 u| 0engurcnu||||||||txtrdacontentcrdamediacrrdacarrierNew Horizons in Computational Chemistry Software /edited by Michael Filatov, Cheol H. Choi, Massimo Olivucci1st ed. 2022.Cham :Springer International Publishing :Imprint: Springer,2022.1 online resource (321 pages)Topics in Current Chemistry Collections,2367-4075Print version: Filatov, Michael New Horizons in Computational Chemistry Software Cham : Springer International Publishing AG,c2022 9783031076572 Includes bibliographical references.Technological advances in remote collaborations -- MLatom 2: An Integrative Platform for Atomistic Machine Learning -- Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes based on Reduced-Dimension Space -- NAST: Nonadiabatic statistical theory package for predicting kinetics of spin-dependent processes -- Evolution of the Automatic Rhodopsin Modeling (ARM) protocol -- Coupled- and independent-trajectory approaches based on the exact factorization using the PyUNIxMD package -- The Static-Dynamic-Static Family of Methods for Strongly Correlated Electrons: Methodology and Benchmarking -- Ensemble Density Functional Theory of Neutral and Charged Excitations.This volume presents the current status of software development in the field of computational and theoretical chemistry and gives an overview of the emerging trends. The challenges of maintaining the legacy codes and their adaptation to the rapidly growing hardware capabilities and the new programming environments are surveyed in a series of topical reviews written by the core developers and maintainers of the popular quantum chemistry and molecular dynamics programs. Special emphasis is given to new computational methodologies and practical aspects of their implementation and application in the computational chemistry codes. Modularity of the computational chemistry software is an emerging concept that enables to bypass the development and maintenance bottleneck of the legacy software and to customize the software using the best available computational procedures implemented in the form of self-contained modules. Perspectives on modular design of the computer programs for modeling molecular electronic structure, non-adiabatic dynamics, kinetics, as well as for data visualization are presented by the researchers actively working in the field of software development and application. This volume is of interest to quantum and computational chemists as well as experimental chemists actively using and developing computational software for their research. Chapters "MLatom 2: An Integrative Platform for Atomistic Machine Learning” and “Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol" are available open access under a CC BY 4.0 License via link.springer.com.Topics in Current Chemistry Collections,2367-4075ChemistryData processingMolecular dynamicsMachine learningMaterials scienceData processingElectronic structureQuantum chemistryComputer programsComputational ChemistryMolecular DynamicsMachine LearningElectronic Structure CalculationsChemistryData processing.Molecular dynamics.Machine learning.Materials scienceData processing.Electronic structure.Quantum chemistryComputer programs.Computational Chemistry.Molecular Dynamics.Machine Learning.Electronic Structure Calculations.542.85542.85Filatov MichaelChoi Cheol H. Olivucci M(Massimo),MiAaPQMiAaPQMiAaPQBOOK9910735398403321New Horizons in Computational Chemistry Software3393855UNINA