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https://www.nist.gov/publications/supersonic-impact-response-polymer-thin-films-large-scale-atomistic-simulations Supersonic Impact Response of Polymer Thin Films via Large-Scale Atomistic Simulations | NIST Sep 29, 2025 - Recent nanoscale ballistic testing studies have shown the applicability of nanomaterials for ballistic protection but have raised new questions regarding the na https://warwick.ac.uk/fac/sci/hetsys/themes/atomistic/hp2022-20/ How amorphous carbon breaks: atomistic models and machine learning amorphous carbon breaks atomistic models machine https://arxiv.org/abs/2508.15704 [2508.15704] Metatensor and metatomic: foundational libraries for interoperable atomistic machine... Abstract page for arXiv paper 2508.15704: Metatensor and metatomic: foundational libraries for interoperable atomistic machine learning 2508 https://www.slideserve.com/cairo-schultz/qing-lu-cmsc-838-presentation PPT - Atomistic Protein Folding Simulations: Breaking Boundaries with Distributed Computing... This presentation explores the revolutionary approach to atomistic protein folding simulations using distributed computing platforms, like Folding@Home. It... protein folding breaking boundaries ppt atomistic simulations https://chenlab.mae.ufl.edu/ Atomistic and Multiscale Mechanics - Herbert Wertheim College of Engineering Welcome to the Atomistic and Multiscale Research Lab. Our group has dedicated a significant, long-term effort to foundational research. We develop formalisms... herbert wertheim atomistic multiscale mechanics college https://www.sintef.no/en/publications/publication/1761258/ Screening thermoelectric materials with ab initio atomistic modelling and machine learning... thermoelectric materials ab initio screening https://www.scirp.org/reference/ReferencesPapers?ReferenceID=2157804 Farkas, D. (2013) Atomistic Simulations of Metallic Microstructures. Current Opinion in Solid State... Farkas, D. (2013) Atomistic Simulations of Metallic Microstructures. Current Opinion in Solid State and Materials Science, 17, 284-297. https://www.synopsys.com/manufacturing/quantumatk/materials-modeling.html Atomistic Simulation Software for Materials Modeling | QuantumATK - Synopsys QuantumATK simulates material properties using quantum mechanics, enhancing product performance across various materials development applications. simulation software atomistic materials modeling synopsys https://edubirdie.com/docs/massachusetts-institute-of-technology/3-11-mechanics-of-materials/93372-atomistic-basis-of-elasticity Atomistic Basis of Elasticity | Lecture Note - Edubirdie ATOMISTIC BASIS OF ELASTICITY January 27, 2000 Introduction The Introduction to Elastic Response Module introduced two very... Read more lecture note atomistic basis elasticity edubirdie https://rhizomeresearch.ai/ Rhizome Research - Autonomous Atomistic Discovery Autonomous Atomistic Discovery rhizome research autonomous atomistic discovery https://www.nist.gov/publications/specific-volume-cooling-rate-analysis-glass-transition-cross-linked-epoxy-atomistic Specific Volume-Cooling Rate Analysis: Glass Transition of Cross-linked Epoxy in Atomistic... Apr 30, 2020 - This is a technical video that animates a Figure in a previously published manuscript. Hence, only requires notation. https://www.ncbi.nlm.nih.gov/Structure/pdb/8EMM 8EMM: Composite 70S ribosome structure for "Atomistic simulations of the E. coli ribosome provide... 16S rRNA23S rRNA30S ribosomal protein S1030S ribosomal protein S1130S ribosomal protein S1230S ribosomal protein S1330S ribosomal protein S1430S ribosomal... https://www.osti.gov/pages/biblio/1819770-atomistic-assessment-solute-solute-interactions-during-grain-boundary-segregation Atomistic Assessment of Solute-Solute Interactions during Grain Boundary Segregation (Journal... The U.S. Department of Energy's Office of Scientific and Technical Information grain boundary atomistic assessment solute interactions https://www.uni-bremen.de/en/lmcqm/publications/publication-details/recent-developments-in-dftb-a-software-package-for-efficient-atomistic-quantum-mechanical-simulations Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical... recent developments software package https://github.com/ltalirz/livecoms-atomistic-software GitHub - ltalirz/livecoms-atomistic-software: Git repository accompanying the LiveCoMS perpetual... Git repository accompanying the LiveCoMS perpetual review on atomistic.software - ltalirz/livecoms-atomistic-software git repository github atomistic software accompanying https://fee.org/articles/atomistic-individualism-anatomy-of-a-smear/ Atomistic Individualism: Anatomy of a Smear Hegel, Rousseau, Comte, and of course Karl Marx did a great deal of pen-wielding to combat it, and one of their most potent weapons was to link the ideals of a... anatomy of atomistic individualism smear https://www.sintef.no/en/publications/publication/1521224/ Atomistic modelling in Al alloy development - examples and possibilities - SINTEF in al alloy development atomistic modelling examples https://amp.readthedocs.io/en/latest/ Amp: Atomistic Machine-learning Package — Amp development version documentation machine learning development version amp atomistic package https://arxiv.org/abs/1503.03894 [1503.03894] Atomistic simulations of amorphous polymers in the cloud with PolymerModeler Abstract page for arXiv paper 1503.03894: Atomistic simulations of amorphous polymers in the cloud with PolymerModeler in the cloud https://www.osti.gov/pages/biblio/1976776-atomistic-modeling-surface-grain-boundary-dislocation-nucleation-fcc-metals Atomistic modeling of surface and grain boundary dislocation nucleation in FCC metals (Journal... The U.S. Department of Energy's Office of Scientific and Technical Information https://www.kth.se/en/forskning/kalender/disputationer/atomistic-modelling-of-irradiation-induced-microstructure-evolution-in-fe-alloys-1.1339433?date=2024-06-14&orgdate=2024-02-27&length=1&orglength=309 Atomistic modelling of irradiation-induced microstructure evolution in Fe alloys | KTH atomistic modelling irradiation induced https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2021.733321/full Frontiers | Pyrochlore Compounds From Atomistic Simulations Pyrochlore compounds (A2B2O7) have a large applicability in various branches of science and technology. These materials are considered for use as effective i... frontiers pyrochlore compounds atomistic simulations https://www.hmc.edu/clinic/2016/atomistic-simulations-of-white-dwarf-dynamics/ Atomistic Simulations of White Dwarf Dynamics | Past Clinic Projects | Harvey Mudd College white dwarf https://huggingface.co/lamm-mit/papers lamm-mit (LAMM: MIT Laboratory for Atomistic and Molecular Mechanics) PI: Markus J. Buehler, MIT. Our research focus on developing a new paradigm that designs materials from the molecular scale, using MD, ML and other methods. lamm mit laboratory atomistic molecular https://www.a-star.edu.sg/bii/research/bsmd/asdb BII - Atomistic Simulations and Design in Biology bii atomistic simulations design biology https://www.unicatt.it/en/events/events/brescia/2025/discovering-the-center-of-the-earth-with-atomistic-deep-learning-simulations.html Discovering the center of the Earth with atomistic "deep-learning" simulations - Brescia |... April 14, 2025. Seminar by Sandro SCANDOLO, ICTP, Trieste the center of earth deep learning discovering https://arxiv.org/html/2406.10926v1 Real-Time Formulation of Atomistic Electromagnetic Models for Plasmonics real time formulation atomistic electromagnetic models https://openreview.net/forum?id=RGQmv3lg7R Machine Learning Aided Atomistic Modeling of Solid State Electrolyte Interphase Formation for... solid state electrolyte machine learning https://nanoacademic.com/ Atomistic and quantum simulation tools | Nanoacademic - Canada Feb 10, 2026 - Tools for research in public and private laboratories. Glimpse the properties of next-generation materials and devices. quantum simulation atomistic tools canada https://macan.net.technion.ac.il/ Macan | Merging Atomistic and Continuum Analysis of Nanometer Length-Scale Metal Oxide Systems https://www.uni-kassel.de/fb14bau/en/institutes/institut-fuer-baustatik-und-baudynamik/structural-analysis/research/coupling-atomistic-structures-with-nodes-having-translational-and-rotational-degrees-of-freedom.html Coupling atomistic structures with nodes having translational and rotational degrees of freedom -... https://bigdft.org/index.html BigDFT | Precise DFT code for ab-initio atomistic simulation Oct 22, 2021 - Open source software for innovative research of materials and macro-molecular systems at the nanoscale. Large systems, massively parallel, wavelets. ab initio bigdft precise code atomistic https://www.synopsys.com/manufacturing/quantumatk/contact-us.html Atomistic Simulation Software Contact Us | QuantumATK - Synopsys Contact us for your atomic-scale modeling or atomistic simulation needs simulation software contact us atomistic synopsys https://arxiv.org/abs/2406.10926v1 [2406.10926v1] Real-Time Formulation of Atomistic Electromagnetic Models for Plasmonics Abstract page for arXiv paper 2406.10926v1: Real-Time Formulation of Atomistic Electromagnetic Models for Plasmonics real time 2406 formulation https://atsim.iit.it/ Home - Atomistic Simulations - IIT atomistic simulations iit https://www.uni-marburg.de/de/fb13/aktuelles/termine/kolloquium/wise-2019-20/atomistic-defect-states-as-quantum-emitters-in-2d-materials Termin: Atomistic Defect States as Quantum Emitters in 2D Materials - Wintersemester 2019/20 -... Kolloquium Fachbereich Physik https://www.nist.gov/publications/atomvision-machine-vision-library-atomistic-images AtomVision: A machine vision library for atomistic images | NIST Mar 29, 2023 - Computer vision techniques have immense potential for materials design applications. a machine vision library atomistic images https://www.nist.gov/publications/atomistic-structural-refinements-and-failure-surface-stress-core-shell-model-brookite Atomistic Structural Refinements and Failure of the Surface-Stress "Core-Shell" Model in Brookite... https://huggingface.co/organizations/lamm-mit/activity/all lamm-mit (LAMM: MIT Laboratory for Atomistic and Molecular Mechanics) PI: Markus J. Buehler, MIT. Our research focus on developing a new paradigm that designs materials from the molecular scale, using MD, ML and other methods. lamm mit laboratory atomistic molecular https://www.nist.gov/publications/atomistic-comparison-volume-dependent-melt-properties-four-models-aluminum Atomistic comparison of volume-dependent melt properties from four models of aluminum | NIST Feb 19, 2017 - With the increasing use of simulations in materials research and design, it is important to quantify differences between, and accuracy of, models used in these https://www.atomisticinsights.com/ Atomistic Insights atomistic insights https://www.helsinki.fi/en/researchgroups/biological-physics-and-soft-matter/news/atomistic-fingerprint-of-hyaluronan-cd44-binding Atomistic fingerprint of hyaluronan-CD44 binding | Biological Physics and Soft Matter | University... Hyaluronan is a polyanionic, megadalton-scale polysaccharide, which initiates cell signaling by interacting with several receptor proteins including CD44... https://warwick.ac.uk/fac/sci/masdoc/current/msc-modules/ma916/mca/an/ Atomistic / Nonlinear Elasticity Coupling Model nonlinear elasticity atomistic coupling model https://arxiv.org/abs/2211.16443 [2211.16443] Synthetic data enable experiments in atomistic machine learning Abstract page for arXiv paper 2211.16443: Synthetic data enable experiments in atomistic machine learning synthetic data 2211 enable experiments atomistic https://www.osti.gov/pages/biblio/2507481-atomistic-origin-microsecond-carrier-lifetimes-perovskite-grain-boundaries-machine-learning-assisted-nonadiabatic-molecular-dynamics Atomistic Origin of Microsecond Carrier Lifetimes at Perovskite Grain Boundaries: Machine... The U.S. Department of Energy's Office of Scientific and Technical Information grain boundaries atomistic origin microsecond carrier https://www.ornl.gov/publication/atomistic-structural-description-ferrielectric-polar-phase-involving-non-coplanar An atomistic structural description of the ferrielectric polar phase involving non-coplanar cation... Materials with antipolar-polar transformation are attractive for their large functional responses. However, the antipolar state remains controversial in many... https://pmc.ncbi.nlm.nih.gov/articles/PMC11257589/ Atomistic Prediction of Structures, Conformational Ensembles and Binding Energetics for the... The most recent wave of SARS-CoV-2 Omicron variants descending from BA.2 and BA.2.86 exhibited improved viral growth and fitness due to convergent evolution of... conformational ensembles atomistic prediction structures https://www.cqvip.com/doc/journal/7202878904?sign=34d843b8ea0a78f07072e4420d8e42bac37489c9e785cc4d85e67c085bf1fd1f&expireTime=1791847352550&resourceId=7202878904&type=1 Building up accurate atomistic models of biofunctionalized magnetite nanoparticles from... Biofunctionalized magnetite nanoparticles offer unique multifunctional capabilities that can drive nanomedical innovations.Designing synthetic bioorganic... building up magnetite nanoparticles accurate atomistic models https://www.nist.gov/publications/atomistic-tight-binding-hartree-fock-calculations-multielectron-configurations-p-doped Atomistic tight-binding Hartree-Fock calculations of multielectron configurations in P-doped... Aug 29, 2025 - Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. tight binding hartree fock https://arxiv.org/html/2412.03281v3 Fast and flexible long-range models for atomistic machine learning long range fast flexible models atomistic