Macromolecular and materials chemistry

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Oscillatory Field Genesis: The Emergent Architecture of Spacetime, Matter, and Memory

Oscillatory Field Genesis: The Emergent Architecture of Spacetime, Matter, and Memory

dataset posted on 2025-05-05

Unified Möbius Collapse Logic (MCL) and Light-based Operator Quanta Harmonic Computational Language (LOQ-HCL): A Topological Photonic Computing Framework

Unified Möbius Collapse Logic (MCL) and Light-based Operator Quanta Harmonic Computational Language (LOQ-HCL): A Topological Photonic Computing Framework

preprint posted on 2025-05-03

Dataset

dataset posted on 2025-05-03

Materials Database from All-electron Hybrid Functional DFT Calculations

Materials Database from All-electron Hybrid Functional DFT Calculations

dataset posted on 2025-05-01

FILES UNDER EMBARGO

Rigid Polymer Membranes for Crude Oil Fractionation

thesis posted on 2025-04-28 in Monash University

HOFDiff

dataset posted on 2025-04-27

HOFSyn

dataset posted on 2025-04-27

HOFNet

dataset posted on 2025-04-27

DAC-SIM

dataset posted on 2025-04-09

JOURNAL CONTRIBUTION

Domain-specific Word2vec-based trained models - Chem300, Phys300, MatSci200, MatSci300, and Mixed300

journal contribution posted on 2025-04-07

Thermal Spacetime Unification Theory (TSU)

Thermal Spacetime Unification Theory (TSU)

journal contribution posted on 2025-03-25

Enhanced Energy Absorption in Hierarchical Honeycomb Structures Using Foaming Materials: Design, Fabrication, and Characterization via Fused Filament Fabrication

Enhanced Energy Absorption in Hierarchical Honeycomb Structures Using Foaming Materials: Design, Fabrication, and Characterization via Fused Filament Fabrication

thesis posted on 2025-03-19 in Monash University

Surface-grafted macromolecular nanowires with pedant fluorescein chromophores by dense non-aggregated nanoarchitectonics as versatile photoactive platforms

dataset posted on 2025-03-05

Michał Szuwarzyński

JOURNAL CONTRIBUTION

BERTOS

journal contribution posted on 2025-02-10

FILES UNDER EMBARGO

Core Loss Mechanisms in Soft Magnetic Nanostructures

thesis posted on 2025-02-08 in Monash University

Dataset supporting High glass transition catalyst-free polybenzoxazine vitrimer through one-pot solventless method

Dataset supporting High glass transition catalyst-free polybenzoxazine vitrimer through one-pot solventless method

dataset posted on 2025-02-04

Figures for <i>Implicit Time-Marching for Lagrange </i><i>Multiplier Formulation for Couple Stress </i><i>Elastodynamics</i>

Figures for Implicit Time-Marching for Lagrange Multiplier Formulation for Couple Stress Elastodynamics

figure posted on 2025-01-28

Supplementary material for <i>Implicit Time-Marching for Lagrange </i><i>Multiplier Formulation for Couple Stress </i><i>Elastodynamics</i>

Supplementary material for Implicit Time-Marching for Lagrange Multiplier Formulation for Couple Stress Elastodynamics

media posted on 2025-01-25

QMOF Database

dataset posted on 2025-01-16

<b>Definitive Proof of the Riemann Hypothesis and the</b><b>Distribution of Prime Numbers</b>

Definitive Proof of the Riemann Hypothesis and theDistribution of Prime Numbers

preprint posted on 2025-01-08

<b>Resolution of the Riemann Hypothesis and </b><b> the Hilbert-Pólya Conjecture</b>

Resolution of the Riemann Hypothesis and the Hilbert-Pólya Conjecture

preprint posted on 2024-12-29

Héctor Manuel Quezada Quiñonez

FILES UNDER EMBARGO

Supporting data for "Laser-Induced Synthesis and Augmentation of Non-Precious Metal Electrocatalysts for Sustainable Energy Catalysis"

dataset posted on 2024-12-27 in HKU Data Repository

Nano particle structures

dataset posted on 2024-12-19

Molecular Insights into the Interactions Between Human Serum Albumin and Phospholipid Membranes

Molecular Insights into the Interactions Between Human Serum Albumin and Phospholipid Membranes

journal contribution posted on 2024-12-17

Maciej Przybyłek

RxnNet

software posted on 2024-11-20 in Technical University of Denmark

Rasmus Fromsejer

Supporting data for Manuscript: "Vapor Phase Growth of NiO Thin Films in the Presence of Water Vapor: Insights from Experiments and Theory", by <i>Mattia Benedet,</i> <i>Chiara Maccato,</i>*<i> Gioele Pagot,</i><i> Cristiano Invernizzi,</i><sup> </sup><i>Cinzia Sada,</i><i> </i><i>Vito Di Noto,</i><i> Gian Andrea Rizzi,</i><i> Ettore Fois, </i><i>Gloria Tabacchi,*</i><i> and Davide Barreca</i>

Supporting data for Manuscript: "Vapor Phase Growth of NiO Thin Films in the Presence of Water Vapor: Insights from Experiments and Theory", by Mattia Benedet, *Chiara Maccato,** Gioele Pagot, Cristiano Invernizzi,Cinzia Sada, Vito Di Noto, Gian Andrea Rizzi, Ettore Fois, Gloria Tabacchi,* and Davide Barreca

dataset posted on 2024-11-13

JOURNAL CONTRIBUTION

LSTM-based framework for predicting point defect percentage in semiconductor materials using simulated XRD patterns

journal contribution posted on 2024-10-25

<b>Atomistic Molecular Dynamics Simulations of the Tensile Strength Properties of Polymer-Calcite Systems</b>

Atomistic Molecular Dynamics Simulations of the Tensile Strength Properties of Polymer-Calcite Systems

dataset posted on 2024-10-11

AMMBER: The AI-enabled Microstructure Model BuildER

AMMBER: The AI-enabled Microstructure Model BuildER

poster posted on 2024-08-29

FERMat: Foundational Representation of Materials

FERMat: Foundational Representation of Materials

poster posted on 2024-08-21

The Informatics Skunkworks program for undergraduate research at the interface of data science and materials science

The Informatics Skunkworks program for undergraduate research at the interface of data science and materials science

poster posted on 2024-08-13

Cloud hosting and uncertainty quantification for machine learning data and models in materials

Cloud hosting and uncertainty quantification for machine learning data and models in materials

poster posted on 2024-08-13

The dataset for the manuscript "Molecular understanding of the self-assembly of an N-isopropylacrylamide delivery system for the loading and temperature-dependent release of curcumin"

dataset posted on 2024-07-18

collection:
[deprecated] Towards Informatics-Driven Design of Nuclear Waste Forms: Supporting Data

posted on 2024-07-05

collection:
Structural Constraint Integration in Generative Model for Discovery of Quantum Material Candidates

posted on 2024-06-24

Enhancing Circularly Polarized Electroluminescence through Energy Transfer within a Chiral Polymer Host

dataset posted on 2024-06-21

Towards Informatics-Driven Design of Nuclear Waste Forms: Supporting Data

Towards Informatics-Driven Design of Nuclear Waste Forms: Supporting Data

dataset posted on 2024-06-17

Figures

figure posted on 2024-06-16

Digital Discovery 2024

dataset posted on 2024-05-18

<b>Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study</b>

Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study

journal contribution posted on 2024-05-13

Maciej Przybyłek