Quantic

Multivariate functions of continuous variables arise in countless branches of science. Numerical computations with such functions typically involve a compromise between two contrary desiderata: accurate resolution of the functional dependence, versus parsimonious memory usage. Recently, two promising strategies have emerged for satisfying both requirements: (i) The quantics representation, which expresses functions as multi-index tensors, with each index representing one bit of a binary encoding of one of the variables; and (ii) tensor cross interpolation (TCI), which, if applicable, yields parsimonious interpolations for multi-index tensors...

BACKGROUND: Personalized hemodynamic models can accurately compute fractional flow reserve (FFR) from coronary angiograms and clinical measurements (FFR <mml:math xmlns:mml="https://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi/> <mml:mrow><mml:mrow><mml:mi>baseline</mml:mi></mml:mrow> </mml:mrow> </mml:msub> </mml:math> ), but obtaining patient-specific data could be challenging and sometimes not feasible. Understanding which measurements need to be patient-tuned vs...

Three methods for non-adiabatic dynamics are compared to highlight their capabilities. Multi-configurational time-dependent Hartree is a full grid-based solution to the time-dependent Schrödinger equation, variational multi-configurational Gaussian (vMCG) uses a less flexible but unrestricted Gaussian wavepacket basis, and trajectory surface hopping (TSH) replaces the nuclear wavepacket with a swarm of classical trajectories. Calculations with all methods using a model Hamiltonian were performed. The vMCG and TSH were also then run in a direct dynamics mode, with the potential energy surfaces calculated on-the-fly using quantum chemistry calculations...

Clarke and Beck's defense of the theoretical construct "approximate number system" (ANS) is flawed in serious ways - from biological misconceptions to mathematical naïveté. The authors misunderstand behavioral/psychological technical concepts, such as numerosity and quantical cognition, which they disdain as "exotic." Additionally, their characterization of rational numbers is blind to the essential role of symbolic reference in the emergence of number.

Surgical techniques of soft and hard oral tissues highly benefited from new technologies such as the Quantic Molecular Resonance (QMR) lancet, the Neodymium-doped Yttrium Aluminum Garnet (Nd:YAG) laser and the Erbium-doped Yttrium Aluminum Garnet (Er:YAG) laser. Increasingly, these technologies replace scalpel, conventional electrosurgery and traditional rotary surgery instruments due to their proven advantages. Features such as reduction of the surgical time, more efficient bleeding control resulting in higher intra-operative visibility and improvement of postoperative course with better Quality of Life score (QoL) are highlighted in numerous studies published in the literature...

HPVs are a large and varied group of viruses capable of infecting both animals and humans. They have evolved together with their respective hosts and are isolable in different and numerous species of birds, reptiles, marsupials and mammals. The present study aims to analyze and compare the epidemiological aspects of 251 HPV-associated benign lesions treated with three different surgical approaches. Between January 2004 and December 2019, 251 HPV-associated benign lesions (papillomas and / or condylomas) were treated at the Center of Medicina e Patologia Orale Laser Assistita of the University of Parma...

OBJECTIVE: The aim of this study was to assess the long-term effectiveness of quantic molecular resonance (QMR) in the treatment of inferior turbinate hypertrophy (ITH) in allergic and nonallergic rhinitis refractory to medical therapy. METHODS: This study enrolled 281 patients, 160 males (56.9%) and 121 females (43.1%), mean age 37.8 ± 4.1 years, range 18 to 71. Fifty-four patients have been lost to follow up and have been therefore excluded from the final analysis...

Optimization algorithms play a central role in chemistry since optimization is the computational keystone of most molecular and electronic structure calculations. Herein, we introduce the iterative power algorithm (IPA) for global optimization and a formal proof of convergence for both discrete and continuous global search problems, which is essential for applications in chemistry such as molecular geometry optimization. IPA implements the power iteration method in quantics tensor train (QTT) representations...

We report on first applications of the Multi-Layer Gaussian-based Multi-Configuration Time-Dependent Hartree (ML-GMCTDH) method [Römer et al., J. Chem. Phys. 138, 064106 (2013)] beyond its basic two-layer variant. The ML-GMCTDH scheme provides an embedding of a variationally evolving Gaussian wavepacket basis into a hierarchical tensor representation of the wavefunction. A first-principles parameterized model Hamiltonian for ultrafast non-adiabatic dynamics in an oligothiophene-fullerene charge transfer complex is employed, relying on a two-state linear vibronic coupling model that combines a distribution of tuning type modes with an intermolecular coordinate that also modulates the electronic coupling...

On a now orthodox view, humans and many other animals possess a "number sense," or approximate number system (ANS), that represents number. Recently, this orthodox view has been subject to numerous critiques that question whether the ANS genuinely represents number. We distinguish three lines of critique - the arguments from congruency, confounds, and imprecision - and show that none succeed. We then provide positive reasons to think that the ANS genuinely represents numbers, and not just non-numerical confounds or exotic substitutes for number, such as "numerosities" or "quanticals," as critics propose...

We present the VECMA toolkit (VECMAtk), a flexible software environment for single and multiscale simulations that introduces directly applicable and reusable procedures for verification, validation (V&V), sensitivity analysis (SA) and uncertainty quantication (UQ). It enables users to verify key aspects of their applications, systematically compare and validate the simulation outputs against observational or benchmark data, and run simulations conveniently on any platform from the desktop to current multi-petascale computers...

This project aims to generate dense longitudinal data in lung cancer patients undergoing anti-PD1/PDL1 therapy. Mathematical modelling with mechanistic learning algorithms will help decipher the mechanisms underlying the response or resistance to immunotherapy. A better understanding of these mechanisms should help identifying actionable items to increase the efficacy of immune-checkpoint inhibitors.

The chlordecone (CLD) and the β-hexachlorocyclohexane (β-HCH) are persistent organic pollutants with a great environmental stability that cause severe affectations to health. The concentration of these pesticides in the environment is low, which represent a problem for their determination, even for the modern analytical methods. The labeling of these compounds with an iodine radioisotope for their use as radiotracers is a potential solution to this problem. The present work studies the interaction of 1-iodochlordecone (I-CLD) and β-1-iodo-pentachlorocyclohexane (I-β-HCH) with cyclodextrins (CDs), during the formation of molecular inclusion complexes pesticide@CDs...

In this research, nonlinear vibrations of a hyper-elastic tube accounting for large deflection and moderate rotation have been examined. The hyper-elastic tube is assumed to be surrounded by a nonlinear hardening elastic medium. Different types of hyper-elastic material models are presented and discussed including neo-Hookean, Mooney-Rivlin, Ishihara and Yeoh models. The efficacy of these models in nonlinear vibration modeling and analysis of hyper-elastic tubes has been examined. Modified von-Karman strain is used to consider both large deflection and moderate rotation...

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The data described here support the research article "4-HNE carbonylation induces local conformational changes on bovine serum albumin and thioredoxin. A molecular dynamics study" (Alviz-Amador et al., 2018) . Dataset on Gaff force field parameters of AMBER is provided for assembled three non-standard amino acids resulting of the 4-HNE Michael addition, the main end product of lipids peroxidation. Data include a framework for derivation of missing bonds, angles and dihedral parameters for Cys, His, and Lys modified amino acids, alongside optimized partial charges derived with Restrained Electrostatic Potential (RESP) method and the new force field parameters obtained by quantic mechanical (QM) using HF/6-31G** level of theory...

Even before Rosalin Franklin had discovered the DNA double helix, in her impressive X-ray diffraction image pattern, Erwin Schröedinger, described, in his excellent book, What is Life, how the finding of aperiodic crystals in biological systems surprised him (an aperiodic crystal, which, in my opinion is the material carrier of life). In the 21st century and still far from being able to define life, we are attending to a quick acceleration of knowledge on regulatory information. With the discovery of new codes and punctuation marks, we will greatly increase our understanding in front of an impressive avalanche of genomic sequences...

The average intensity of the Bessel Gaussian beams propagating through the non-Kolmogorov turbulence based on Rytov theory is derived without the quantic approximation in this paper. Therefore, this result is comparatively more accurate than that calculated by the extended Huygens-Fresnel principle, especially when the inner scale of the turbulence is small or the beams width is large. There is an interesting finding which does not exist in Gaussian beams propagation. It is the intensity variation with the inner scale that displays different behaviors when the beams width is different...

INTRODUCTION: There are two critical pillars of homeopathy that contrast with the dominant scientific approach: the similitude principle and the potentization of serial dilutions. Three main hypotheses about the mechanisms of action are in discussion: nanobubbles-related hormesis; vehicle-related electric resonance; and quantum non-locality. OBJECTIVES: The aim of this paper is to review and discuss some key points of such properties: the imprint of supramolecular structures based on the nanoparticle-allostatic, cross-adaptation-sensitization (NPCAS) model; the theory of non-molecular electromagnetic transfer of information, based on the coherent water domains model, and relying (like the NPCAS model) on the idea of local interactions; and the hypothesis of quantum entanglement, based on the concept of non-locality...

BACKGROUND: Oral leukoplakia (OL) is the most typical potentially malignant disorder of the oral mucosa. We aimed to evaluate the clinical outcome of oral leukoplakia treated with several types of lasers and with the use of quantic molecular resonance (QMR) lancet, in terms of recurrence rate. MATERIAL AND METHODS: Eighty-seven previously untreated OL (52 occurring in females and 35 in males, mean age of 59.4 ± 13.9 years) were consecutively submitted to surgical treatment at University Hospital of Parma, Italy, and Hospital de Valongo, Portugal, (1999 to 2012)...