Single-Sweep Methods for Free Energy Calculations

A simple, efficient, and accurate method is proposed to map multi-dimensional free energy landscapes. The method combines the temperature-accelerated molecular dynamics (TAMD) proposed in [Maragliano & Vanden-Eijnden, Chem. Phys. Lett. 426, 168 (2006)] with a variational reconstruction method using radial-basis functions for the representation of the free energy. TAMD is used to rapidly sweep through the important regions of the free energy landscape and compute the gradient of the free energy locally at points in these regions. The variational method is then used to reconstruct the free energy globally from the mean force at these points. The algorithmic aspects of the single-sweep method are explained in detail, and the method is tested on simple examples, compared to metadynamics, and finally used to compute the free energy of the solvated alanine dipeptide in two and four dihedral angles

Criterios para determinar la edad de pollos de Flamenco Austral (Phoenicopterus chilensis) en cautiverio basadas en características del plumaje

Many aspects of the breeding biology of the Chilean Flamingo (Phoenicopterus chilensis) are still unknown. We studied captive breeding Chilean Flamingos at La Plata Zoo, Buenos Aires, Argentina between February and July 2014 to document chick‐aging methods based on molt and coloration of bare parts, such as beak and legs. The development of young was divided in three age categories: 1. Chick (less than 15 days old), with white down and salmonpink beak and red coral legs. 2. Pre‐juvenile (1?3 months old), birds covered with gray down (due to a combination of a double down coat) and when the white down falls, a brownish down coat is more evident. In this stage, the beak had darkened and the legs turned dark gray. 3. The last category is the juvenile (4?5 months old), characterized by the presence of vaned feathers, dorsal feathers are pale brown with a dark raquis, underparts are white and inner coverts have a pale‐salmon coloration; the beak is curved and has a blueish base with a charcoal gray tip and legs are pale gray. The information presented in this study may help to age young Chilean Flamingos in the wild.Fil: Chiale, Maria Cecilia. Universidad Nacional de La Plata. Facultad de Ciencias Veterinarias. Departamento de Ciencias Básicas. Cátedra de Histología y Embriología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata; ArgentinaFil: Montalti, Diego. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Naturales y Museo. División Zoología de Vertebrados. Sección Ornitología; ArgentinaFil: Maragliano, María Graciela. Instituto de Formación Docente y Técnica N° 35; Argentin

Households, Landscapes, and Post-Collapse Continuity in Postclassic Jalieza, Valley of Oaxaca, Mexico

Through the lens of household and landscape archaeology, this dissertation examines an Early Postclassic archaeological site located in Jalieza in the Valley of Oaxaca, Mexico. The analysis reviews data collected during an intensive archaeological field survey consisting of mapping and systematic surface collection. The site of Postclassic Jalieza is compared with other Postclassic sites in the Valley, as well as with the Early Classic and Late Classic settlements at Jalieza. The Postclassic component at Jalieza is a single time-period occupation restricted to the Early Postclassic, thus presenting a rare glimpse into this turbulent and little understood episode in the history of the Valley of Oaxaca. The central argument of this dissertation will focus on understanding the relationship between the elite and commoner elements of this settlement and how their use of space within the landscape represents an important ideological continuity with the past. The deliberate recreation of key elements of traditional Zapotec architecture, site organization, and religious practice at Postclassic Jalieza indicate a strong connection with earlier settlements and practices. My contention is that Postclassic Jalieza represents a conservative community intentionally preserving and perpetuating traditional beliefs and practices during a period of social and political upheaval throughout the Valley of Oaxaca

Temperature Accelerated Monte Carlo (TAMC): a method for sampling the free energy surface of non-analytical collective variables

We introduce a new method to simulate the physics of rare events. The method, an extension of the Temperature Accelerated Molecular Dynamics, comes in use when the collective variables introduced to characterize the rare events are either non-analytical or so complex that computing their derivative is not practical. We illustrate the functioning of the method by studying the homogeneous crystallization in a sample of Lennard-Jones particles. The process is studied by introducing a new collective variable that we call Effective Nucleus Size $\mathcal N$. We have computed the free energy barriers and the size of critical nucleus, which result in agreement with data available in literature. We have also performed simulations in the liquid domain of the phase diagram. We found a free energy curve monotonically growing with the nucleus size, consistent with the liquid domain

Playable Personas: Using Games and Play to Expand the Repertoire of Learner Personas

This article explores how playing and co-creating games in higher education contexts contributes to expanding learner personas and facilitating a multimodal learning experience. Working from the interdisciplinary perspectives of media/games studies, pedagogy, and linguistic anthropology, we conceptualize in-class learning as the making and playing of games, reporting on game experiments and playful practices targeted at learning key theoretical concepts in our disciplines. Game-based modifications to established educational practices involved: replacing lectures with Educational Live Action Role Play (Bowman 2014) sessions, using acting/performance games (Flanagan 2009) to critically reflect on ideas of community and collective identity, and introducing Twine (Werning 2017; Wilson & Saklofske 2019) to defamiliarize the expected structures and media modalities of academia. Based on evidence from participant reflections and classroom ethnographies, we argue that games can serve as a resource for extending the expressive spectrum of learner personas, for enabling embodied, participatory learning of theory, and for empowering students and educators to reflect on our internalized rules of the game of education

Leitura e aprendizagem em contextos digitais: dedicar o tempo necessário para pensar

Os processos de digitalização das práticas e a sua inclusão em lógicas da rede estão envolvendo dois dos mais delicados setores da organização didática: a leitura e a aprendizagem. Em cada um desses setores, estão emergindo hábitos, perspectivas e até valores muito diferentes daqueles que recebemos como herança e que pensávamos ser absolutos. É cedo para dizer com segurança aonde nos levarão os processos em andamento. As turbulências recém começaram, mas já é possível prever, hoje, que todo o setor de formação, escolar e universitária, sairá desses processos intimamente modificado. Portanto, é cedo para pensar em regulamentações. Resta-nos tomar parte ativa nos movimentos, aceitando também seus aspectos anárquicos, e nos empenharmos a entender, sem preconceitos, o que está em jogo e por quê

AGE DETERMINATION OF CAPTIVE CHILEAN FLAMINGO (PHOENICOPTERUS CHILENSIS) CHICKS BASED ON PLUMAGE CHARACTERISTICS

Abstract ∙ Many aspects of the breeding biology of the Chilean Flamingo (Phoenicopterus chilensis) are still unknown. We studied captive breeding Chilean Flamingos at La Plata Zoo, Buenos Aires, Argentina between February and July 2014 to document chick‐aging methods based on molt and coloration of bare parts, such as beak and legs. The development of young was divided in three age categories: 1. Chick (less than 15 days old), with white down and salmon‐ pink beak and red coral legs. 2. Pre‐juvenile (1–3 months old), birds covered with gray down (due to a combination of a double down coat) and when the white down falls, a brownish down coat is more evident. In this stage, the beak had darkened and the legs turned dark gray. 3. The last category is the juvenile (4–5 months old), characterized by the presence of vaned feathers, dorsal feathers are pale brown with a dark raquis, underparts are white and inner coverts have a pale‐salmon coloration; the beak is curved and has a blueish base with a charcoal gray tip and legs are pale gray. The information presented in this study may help to age young Chilean Flamingos in the wild.Resumen ∙ Criterios para determinar la edad de pollos de Flamenco Austral (Phoenicopterus chilensis) en cautiverio basadas en características del plumaje Varios aspectos de la biología reproductiva del Flamenco Austral (Phoenicopterus chilensis) son aún desconocidos. Estudiamos una colonia en cautiverio de Flamencos Australes pertenecientes al Zoológico de La Plata; Buenos Aires, Argentina entre febrero y julio de 2014 para obtener criterios para determinar la edad de los pollos basados en la coloración del plumaje y de las partes desnudas, como pico y patas. El desarrollo de los pollos se dividió en tres categorías: 1. Pollo (menos de 15 días de edad), cubiertos por plumón blanco, pico de color salmón‐rosado y patas rojo coral. 2. Pre‐juvenil (1–3 meses), cubiertos por plumón gris (debido a la combinación de una doble capa de plumón). A medida que el desarrollo avanzó, el plumón blanco se perdió y el plumón de color pardo se hizo más evidente. En este estadio, el pico se oscureció y las patas se tornaron de color gris oscuro. 3. La última categoría, el juvenil (4–5 meses), se caracterizó por la presencia de plumas, las plumas dorsales son de color marrón pálido con un raquis oscuro, las plumas ventrales son blancas y las coberteras inferiores son salmón pálidas. El pico es curvo y tiene una base azulada con la punta gris y las patas tienen una coloración gris pálida. La información presentada en este trabajo provee ayuda para categorizar a los jóvenes de esta especie y puede ser de utilidad en estudios demográficos

Far pace con Turing.

ItNel ricostruire il mondo secondo logiche diverse da quelle consuete, la rivoluzione digitale colpisce il narcisismo dell'uomo e mette in crisi l'idea di un individuo autonomo e autosufficiente. La cultura sociale reagisce attivamente agli effetti di questa crisi, la cultura accademica li combatte. Occorre far pace con la ricostruzione digitale del mondo, cercando in tutti i modi i concetti giusti per interpretare e vivere questo cambiamento.EnThe digital revolution is reconstructing the world with different logics from the past and affects the narcissism of the human being, who feels himself less free and autonomous. The social culture interacts with the effects of this crisis, the academic culture fights them. We need to make peace with the digital reconstruction of the world and focus on the right concepts to interpret and live change

La Public History e gli apparati di istruzione

The critical theme of PH relates to what is History in educational institutions, schools and universities, and how it might change