Our Work

Add -w / --weights-file for local UMA, ORB, MACE and AIMNet2 checkpoints. Update FAIR-Chem inference and analytical Hessians, including charge and spin handling. Support OrbMol-v2. Use separate persis…

Add -w / --weights-file for local UMA, ORB, MACE and AIMNet2 checkpoints. Update FAIR-Chem inference and analytical Hessians, including charge and spin handling. Support OrbMol-v2. Use separate persistent servers for different checkpoint paths.

Add -w / --weights-file for local UMA, ORB, MACE and AIMNet2 checkpoints. Update FAIR-Chem inference and analytical Hessians, including charge and spin handling. Support OrbMol-v2. Use separate persis…

Add -w / --weights-file for local UMA, ORB, MACE and AIMNet2 checkpoints. Update FAIR-Chem inference and analytical Hessians, including charge and spin handling. Support OrbMol-v2. Use separate persistent servers for different checkpoint paths.

In many basic education institutions, several academic processes are still carried out manually, which may lead to delays, difficulties in organizing records, and limitations in the timely access to s…

In many basic education institutions, several academic processes are still carried out manually, which may lead to delays, difficulties in organizing records, and limitations in the timely access to student information. In response to this problem, a prototype Academic Management System was developed to support the organization and automation of academic and administrative activities. The system was developed using the Scrum methodology, with short work cycles that allowed adjustments to be incorporated throughout the development of the prototype. The system was implemented in C# as a desktop application and included functionalities related to grade registration, attendance control, schedule management, messaging, and academic information consultation. To evaluate the prototype, functional tests and an exploratory usability assessment were conducted through structured interviews. The results made it possible to verify the operation of the main functionalities and to identify positive aspects and opportunities for improvement, mainly related to interface design, navigation, and interaction with specific modules. Given the exploratory nature of the study and the small number of participants, the findings should be interpreted as preliminary evidence regarding the functionality and usability of the prototype in the context studied and do not allow inferences to be made about improvements in institutional administrative efficiency. As a contribution, the study presents a contextualized technological alternative to support academic management processes in basic education institutions with limitations in their digitalization processes.

Atribuir aos nordestinos a responsabilidade pela deterioração econômica e institucional brasileira significa cobrar de uma população marcada por privaçõ…

Atribuir aos nordestinos a responsabilidade pela deterioração econômica e institucional brasileira significa cobrar de uma população marcada por privações históricas aquilo que se deixa de cobrar de governos e de eleitores com melhores condições de informação e escolha. Este artigo sustenta que a longa permanência da esquerda no governo federal deve ser examinada pela sua falta de compromisso efetivo com a autonomia das famílias, e não apenas pela distribuição de benefícios ou pela divulgação de melhorias estatísticas. A assistência pode proteger a sobrevivência e, simultaneamente, favorecer a identificação eleitoral com quem a administra. O problema político surge quando essa proteção não se converte em educação consistente, renda própria e liberdade para deixar de depender do Estado. A classe média ocupa o centro da cobrança aqui desenvolvida porque dispõe, como posição social, de maior acesso à informação, formação e experiência econômica para compreender as consequências de suas escolhas. Defende-se que seu apoio consciente a projetos que reproduzem dependência possui responsabilidade política maior que a escolha de quem procura preservar a alimentação da família. Dados públicos fundamentam o diagnóstico; a avaliação dos governos e dos comportamentos eleitorais constitui a tese argumentativa do autor.

Raw halo catalogue and snapshot data from cosmological zoom-in simulations of Milky Way host mass dark matter halos with a blue-tilted primordial power spectrum, as used in: J. Wu, T. K. Chan, V. J. F…

Raw halo catalogue and snapshot data from cosmological zoom-in simulations of Milky Way host mass dark matter halos with a blue-tilted primordial power spectrum, as used in: J. Wu, T. K. Chan, V. J. Forouhar Moreno, "Cosmological zoom-in simulations of Milky Way host mass dark matter halos with a blue-tilted primordial power spectrum", Phys. Rev. D 112, 023512 (2025). arXiv:2412.16072. Contents of btmw_raw_data.tar.gz:- SOAP halo property catalogues (HBT-HERONS based and VELOCIraptor based)- HBT-HERONS subhalo catalogues- VELOCIraptor halo catalogues and radial profiles (all six fiducial simulations)- SWIFT dark matter snapshots (fiducial simulations, z=0) After extracting the archive, set the environment variable BTMW_SIM_ROOT to the extracted btmw_raw_data/ directory to use with the companion code repository. Companion analysis code: https://doi.org/10.5281/zenodo.20805091. Code can also be found at: https://github.com/rushingfox/btmw. If you use this data in your research, please cite the paper and this dataset:   J. Wu, T. K. Chan, V. J. Forouhar Moreno,  Phys. Rev. D 112, 023512 (2025). https://doi.org/10.1103/59fw-974t   J. Wu, T. K. Chan, V. J. Forouhar Moreno,  btmw: Raw data for Blue-Tilt Milky-Way simulations (2026).  https://doi.org/10.5281/zenodo.20805009

This article examines the role of pedagogical activity and the development of professional competence among future teachers within the context of reforming the education system and enhancing its quali…

This article examines the role of pedagogical activity and the development of professional competence among future teachers within the context of reforming the education system and enhancing its quality. It analyzes the integration of digital technologies and advanced pedagogical approaches into the educational process, as well as the practical significance of the pedagogical obligations outlined in the Law of the Republic of Uzbekistan "On the Status of the Educator." Furthermore, the article presents a comparative study of the various approaches to the concepts of "competence" and "competency" found in the research of educators and methodologists, thereby elucidating the essence of professional competence.

LLM workloads, such as training, fine-tuning, and inference, are becoming too large even for massive-scale infrastructure. Kavier is a physics-driven simulator that predicts the performance, sustainab…

LLM workloads, such as training, fine-tuning, and inference, are becoming too large even for massive-scale infrastructure. Kavier is a physics-driven simulator that predicts the performance, sustainability, and efficiency of LLM ecosystems under inference and fine-tuning workloads.

The 4-strain E. coli simulated dataset and the 30-strain 5-species simulated dataset from the Strainify paper are deposited here.

JupyterGIS is a collaborative Geographical Information System (GIS) environment in JupyterLab.

SURPASS is a Python package for coupled semiconductor bulk, optical, transport, surface-electrostatic, interface-recombination, and photoluminescence calculations. Version 1.0.0 is the archived implem…

SURPASS is a Python package for coupled semiconductor bulk, optical, transport, surface-electrostatic, interface-recombination, and photoluminescence calculations. Version 1.0.0 is the archived implementation used for the POx/AlOx-on-InP passivation study.