Zobrazeno 1 - 10
of 2 292
pro vyhledávání: '"A. Del Ben"'
Multi-dimensional Fourier transforms are key mathematical building blocks that appear in a wide range of applications from materials science, physics, chemistry and even machine learning. Over the past years, a multitude of software packages targetin
Externí odkaz:
http://arxiv.org/abs/2406.05577
Autor:
Weinberg, Daniel, Hull, Olivia A., Clary, Jacob M., Sundararaman, Ravishankar, Vigil-Fowler, Derek, Del Ben, Mauro
Developing theoretical understanding of complex reactions and processes at interfaces requires using methods that go beyond semilocal density functional theory to accurately describe the interactions between solvent, reactants and substrates. Methods
Externí odkaz:
http://arxiv.org/abs/2405.20258
Autor:
Tezak, Cooper, Clary, Jacob, Gerits, Sophie, Quinton, Joshua, Rich, Benjamin, Singstock, Nicholas, Alherz, Abdulaziz, Aubry, Taylor, Clark, Struan, Hurst, Rachel, Del Ben, Mauro, Sutton, Christopher, Sundararaman, Ravishankar, Musgrave, Charles, Vigil-Fowler, Derek
We present BEAST DB, an open-source database comprised of ab initio electrochemical data computed using grand-canonical density functional theory in implicit solvent at consistent calculation parameters. The database contains over 20,000 surface calc
Externí odkaz:
http://arxiv.org/abs/2405.20239
Autor:
Wild, Romina, Sozio, Emanuela, Margiotta, Riccardo G., Dellai, Fabiana, Acquasanta, Angela, Del Ben, Fabio, Tascini, Carlo, Curcio, Francesco, Laio, Alessandro
Clinical databases typically include, for each patient, many heterogeneous features, for example blood exams, the clinical history before the onset of the disease, the evolution of the symptoms, the results of imaging exams, and many others. We here
Externí odkaz:
http://arxiv.org/abs/2404.14275
Autor:
Dieguez, Adrian Perez, Choi, Min, Okyay, Mahmut, Del Ben, Mauro, Wong, Bryan M., Ibrahim, Khaled Z.
Tuning searches are pivotal in High-Performance Computing (HPC), addressing complex optimization challenges in computational applications. The complexity arises not only from finely tuning parameters within routines but also potential interdependenci
Externí odkaz:
http://arxiv.org/abs/2403.08131
Autor:
Luis Alameda, Victoria Rodriguez, Marta Di Forti, Edoardo Spinazzola, Giulia Trotta, Celso Arango, Manuel Arrojo, Miguel Bernardo, Julio Bobes, Lieuwe de Haan, Cristina Marta Del-Ben, Charlotte Gayer-Anderson, Lucia Sideli, Peter B. Jones, James B. Kirkbride, Caterina La Cascia, Giada Tripoli, Laura Ferraro, Daniele La Barbera, Antonio Lasalvia, Sarah Tosato, Pierre-Michel Llorca, Paulo Rossi Menezes, Jim van Os, Bart P. Rutten, Jose Luis Santos, Julio Sanjuán, Jean-Paul Selten, Andrei Szöke, Ilaria Tarricone, Andrea Tortelli, Eva Velthorst, Hannah E. Jongsma, Evangelos Vassos, Diego Quattrone, Robin M. Murray, Monica Aas
Publikováno v:
Translational Psychiatry, Vol 14, Iss 1, Pp 1-7 (2024)
Abstract Childhood adversity is associated with various clinical dimensions in psychosis; however, how genetic vulnerability shapes the adversity-associated psychopathological signature is yet to be studied. We studied data of 583 First Episode Psych
Externí odkaz:
https://doaj.org/article/075cb82fd68249d0b3dec093bdb6951e
Autor:
Luis Felipe Scarabelot, Jesem Douglas Yamall Orellana, Viviane Cunha Cardoso, Marco Antonio Barbieri, Ricardo Carvalho Cavalli, Heloisa Bettiol, Bernardo Lessa Horta, Cristina Marta Del-Ben
Publikováno v:
BMC Public Health, Vol 24, Iss 1, Pp 1-12 (2024)
Abstract Background In Brazil, the prevalence of mental disorders is heterogeneous, with most studies conducted in large cities with high population density. This study aimed to assess the prevalence of mental disorders and psychiatric comorbidities
Externí odkaz:
https://doaj.org/article/803cf7f8606b40199e40049b948e4dd2
Publikováno v:
J. Chem. Theory Comput., 19, 22, 7989-7997 (2024)
We present a new velocity-gauge real-time, time-dependent density functional tight-binding (VG-rtTDDFTB) implementation in the open-source DFTB+ software package (https://dftbplus.org) for probing electronic excitations in large, condensed matter sys
Externí odkaz:
http://arxiv.org/abs/2308.09782
Autor:
Luisa Agnello, Rosaria Vincenza Giglio, Fabio Del Ben, Tommaso Piccoli, Tiziana Colletti, Concetta Scazzone, Bruna Lo Sasso, Anna Maria Ciaccio, Caterina Maria Gambino, Giuseppe Salemi, Marcello Ciaccio
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-9 (2024)
Abstract Cerebrospinal fluid (CSF) core biomarkers of Alzheimer’s disease (AD), including amyloid peptide beta-42 (Aβ42), Aβ42/40 ratio, and phosphorylated tau (pTau), are precious tools for supporting AD diagnosis. However, their use in clinical
Externí odkaz:
https://doaj.org/article/776147ada1fe41818cb2bf6dbd71624e
Publikováno v:
Orfeu, Vol 9, Iss 2 (2024)
Este artigo tem como objetivo investigar como o estagiário do curso de licenciatura em música constrói compreensões sobre a função de ensinar música na educação básica. Fundamentando-se nos estudos de Maria do Céu Roldão sobre profissiona
Externí odkaz:
https://doaj.org/article/be8222a6497247c481d783c982d51915