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Articles by Del Ben
Condensed Matter > Materials Science
Quantum-mechanical approaches, such as density functional theory (DFT), underpin much of modern computational materials science and are the primary source of data for AI-driven discovery. Yet the established electronic-structure codes today represent decades-old software architectures, making new physical models slow and costly to implement, validate, and deploy on emerging hardware.
Condensed Matter > Materials Science
Many-body perturbation theory (MBPT) methods, including the GW approximation, the GW plus Bethe-Salpeter equation (GW-BSE) method, and GW perturbation theory (GWPT), among others, provide accurate first-principles descriptions of excited-state properties and multiparticle interactions of materials. However, their use remains limited due to complex multi-software workflows, interdependent physical parameters, and substantial theoretical expertise.
[2505.19467] GPU acceleration of non-equilibrium Green's function calculation using OpenACC and CUDA FORTRAN
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Epicardial fat and liver stiffness by acoustic radiation... : AIDS
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Application of Deconvolution in Path Integral Simulations
1. Introduction Click to copy section linkSection link copied! Nuclear quantum effects (NQEs) in large systems can be investigated with path integral molecular dynamics (PIMD) simulations. (1−3) In principle, the number of replicas or beads should be infinity to obtain exact results, but in practice the number of replicas is increased until the convergence is reached.
Lipid-based insulin-resistance markers predict cardiovascular events in metabolic dysfunction associated steatotic liver disease - Cardiovascular Diabetology
We included 772 dysmetabolic patients, among whom 85.5% (n = 660) were diagnosed with MASLD (age 55.6 ± 12.1 years, 39.4% women). MASLD patients had a higher prevalence of MetS, obesity, and diabetes, along with lower mean HDL-C levels and higher TyG levels compared to patients without MASLD. A non-statistically significant trend of higher prevalence of hypertension was found in MASLD patients (52.7% vs.
Maximally informative feature selection using Information Imbalance: Application to COVID-19 severity prediction
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Transferability of Buckingham Parameters for Short-Range Repulsion between Topological Atoms
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem. A 2024, XXXX, XXX RETURN TO ARTICLES ASAPPREVA: New Tools and Met...A: New Tools and Methods in Experiment and TheoryNEXT Jaiming J. K. Chung Department of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, Great Britain , Matthew L. Brown Department of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, Great Britain , and * Paul L. A.
Cost-Effective Methodology for Complex Tuning Searches in HPC: Navigating Interdependencies and Dimensionality
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Anti-VEGF therapy selects for clones resistant to glucose starvation in ovarian cancer xenografts
Journal of Experimental & Clinical Cancer Research, Aug 2023 Genetic and metabolic heterogeneity are well-known features of cancer and tumors can be viewed as an evolving mix of subclonal populations, subjected to selection driven by microenvironmental pressures or drug treatment. In previous studies, anti-VEGF therapy was found to elicit rewiring of tumor metabolism, causing marked alterations in glucose, lactate ad ATP levels in tumors.
Challenges in Improving Adherence to Diet and Drug Treatment in Hypercholesterolemia Patients
Abstract : Poor adherence to chronic disease treatment may seriously compromise the effectiveness of therapy, characterizing itself as a critical element for the population’s health, both from the point of view of quality of life and health economics. The causes of low adherence are many and can depend on the patient, the physician and the healthcare system.
Reprocessing 2-D airgun seismic reflection data SALTFLU (salt deformation and sub-salt fluid circulation in the Algero-Balearic abyssal plain) in the Balearic promontory and the Algerian basin (pdf) | Paperity
Marine Geophysical Research, Apr 2023 This is a preview of a remote PDF: https://link.springer.com/content/pdf/10.1007/s11001-023-09512-5.pdf Blondel, Simon, Ford, Jonathan, Lockwood, Aaron, Del Ben, Anna, Camerlenghi, Angelo. , Marine Geophysical Research, 2023, pp. 1-28, Volume 44, Issue 2, DOI: 10.1007/s11001-023-09512-5
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