Macromolecular and materials chemistry

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

dataset posted on 2025-05-05

Drippy Stone

DATASET

Matbench Discovery - Model Predictions for Geometry Optimization

dataset posted on 2025-05-02

Janosh Riebesell

DATASET

Supplementary Dataset for "Molecular Self-Assembly, Rearrangement and Disassembly of {Cr₆} Horseshoe Oligomers"

dataset posted on 2025-04-22

DATASET

Dataset and Code for "Periodic Potential for Point Defects in a 2D Hexagonal Colloidal Lattice" [ZIP Archive]

dataset posted on 2025-04-22

Huang

DATASET

Bacterial membrane nanovesicles encapsulating prodrug assemblies combine chemical and immunological therapies for chronic bacterial infection management

dataset posted on 2025-04-15

DATASET

Matbench Discovery - Model Predictions for Phonons

dataset posted on 2025-04-07

Janosh Riebesell

DATASET

Matbench Discovery - Model Predictions for Discovery

dataset posted on 2025-04-07

Janosh Riebesell

JOURNAL CONTRIBUTION

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

journal contribution posted on 2025-04-07

Machine Learning Driven Approach for Modeling Host-Guest Dynamics in Xenon-Based Porous Liquids

poster posted on 2025-03-28

DATASET

Matbench Discovery - Data Files

dataset posted on 2025-03-26

Janosh Riebesell

DATASET

data.bond

dataset posted on 2025-03-25

Isolated iridium oxide sites on modified carbon nitride for phoIsolated iridium oxide sites on modified carbon nitride for photoreforming of plastic derivativestoreforming of plastic derivatives

journal contribution posted on 2025-03-25

Pawan Kumar

STDE – Sárközi Theory of Multilevel Dominance Shifts (Universal Model of Complex Systems

presentation posted on 2025-03-23

Róbert Albert Sárközi

Cellulose Nanomaterials for Sustainable Food Packaging

thesis posted on 2025-03-19 in Monash University

Hans Estrella Cainglet

DATASET

Matbench Discovery - Model Predictions for Geometry Optimization

dataset posted on 2025-03-18

Janosh Riebesell

DATASET

Matbench Discovery - Model Predictions for Diatomics

dataset posted on 2025-03-17

Controlling Thermal Transport with Thermal Metamaterials

thesis posted on 2025-03-05 in Purdue University Graduate School

Zixin Xiong

DATASET

Research data for article 'Influence of Bis(2,2,2-Trifluoroethyl) Carbonate Flame Retarding Co-Solvent on Interfacial Chemistry in Carbonate Ester Lithium-Ion Battery Electrolytes'

dataset posted on 2025-02-19

DATASET

PAA240k-AM Original data.rar

dataset posted on 2025-02-15

Shaoning Zhang

DATASET

DATASET for 1st manuscript (Liquid crystalline coatings loaded with colistin for preventing development of biofilms on orthopedic implants )

dataset posted on 2025-02-11

Seref Akay

DATASET

Pressure-annealed high-entropy sulfide data

dataset posted on 2025-02-04 in University of Manchester

Alexander Eggeman

DATASET

Dataset of Carbon Nanostructures for "Prediction of Carbon Nanostructure Mechanical Properties and the Role of Defects Using Machine Learning"

dataset posted on 2025-02-03

Permanent

FILES UNDER EMBARGO

Supporting data for "Chemical Auxiliary for Photocatalytic Active Colloids"

dataset posted on 2025-01-27 in HKU Data Repository

Wendi Duan

DATASET

Dataset for "Simple surface treatment of conjugated polymers for enhanced cell adhesion using UV-Ozone"

dataset posted on 2025-01-17 in University College London

Bob Schroeder

raw data for Co-Cr spinel main text

dataset posted on 2025-01-09

Biao He

<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

21days

FILES UNDER EMBARGO

Strategies for Overcoming Ionic Transport Limitations in Polymer Electrolytes

thesis posted on 2024-12-17 in Purdue University Graduate School

Sebastian Ignacio Calderon Cazorla

Investigation of Electron Irradiation Induced Amorphous to Crystalline Phase Transformations in Nanostructured Ceramics

thesis posted on 2024-12-05 in Purdue University Graduate School

Nathaniel John Keninger

DATASET

Origin data file and plots

dataset posted on 2024-12-04

Claire Griesbach

DATASET

FIB-SEM tomography data

dataset posted on 2024-12-04

Claire Griesbach

Permanent

FILES UNDER EMBARGO

Supporting Data for "Study of Atomically Precise Metal Nanoclusters and Their Hybrids for Catalysis and Energy Storage"

dataset posted on 2024-11-28 in HKU Data Repository

Tehseen Nawaz

DATASET

Data Windmill Droplets.zip

dataset posted on 2024-11-26

Laura Rodriguez Arco

DATASET

Punctaria latifolia as a new source of alginate: structural characteristics and biological activity

dataset posted on 2024-11-22

"Superconductor Problem Solved: Application of the Extended Navier-Stokes Equation"

presentation posted on 2024-11-21

Stylianos Touloumidis

DATASET

B2C2.vaspFirst-principles prediction of new stable 2D orthorhombic (o)-B2CN and o-B2C2 materials for hydrogen storage applications via lithium decoration.

dataset posted on 2024-11-18

DATASET

B2C2-supercell.vaspFirst-principles prediction of new stable 2D orthorhombic (o)-B2CN and o-B2C2 materials for hydrogen storage applications via lithium decoration.

dataset posted on 2024-11-18

DATASET

B2CN.vaspFirst-principles prediction of new stable 2D orthorhombic (o)-B2CN and o-B2C2 materials for hydrogen storage applications via lithium decoration.

dataset posted on 2024-11-18

DATASET

B2CN-supercell.vaspFirst-principles prediction of new stable 2D orthorhombic (o)-B2CN and o-B2C2 materials for hydrogen storage applications via lithium decoration.

dataset posted on 2024-11-18

DATASET

data.xlsxFirst-principles prediction of new stable 2D orthorhombic (o)-B2CN and o-B2C2 materials for hydrogen storage applications via lithium decoration.

dataset posted on 2024-11-18

Macromolecular and materials chemistry

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

Matbench Discovery - Model Predictions for Geometry Optimization

Supplementary Dataset for "Molecular Self-Assembly, Rearrangement and Disassembly of {Cr6} Horseshoe Oligomers"

Dataset and Code for "Periodic Potential for Point Defects in a 2D Hexagonal Colloidal Lattice" [ZIP Archive]

Bacterial membrane nanovesicles encapsulating prodrug assemblies combine chemical and immunological therapies for chronic bacterial infection management

Matbench Discovery - Model Predictions for Phonons

Matbench Discovery - Model Predictions for Discovery

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

Machine Learning Driven Approach for Modeling Host-Guest Dynamics in Xenon-Based Porous Liquids

Matbench Discovery - Data Files

data.bond

Isolated iridium oxide sites on modified carbon nitride for phoIsolated iridium oxide sites on modified carbon nitride for photoreforming of plastic derivativestoreforming of plastic derivatives

STDE – Sárközi Theory of Multilevel Dominance Shifts (Universal Model of Complex Systems

Cellulose Nanomaterials for Sustainable Food Packaging

Matbench Discovery - Model Predictions for Geometry Optimization

Matbench Discovery - Model Predictions for Diatomics

Controlling Thermal Transport with Thermal Metamaterials

Research data for article 'Influence of Bis(2,2,2-Trifluoroethyl) Carbonate Flame Retarding Co-Solvent on Interfacial Chemistry in Carbonate Ester Lithium-Ion Battery Electrolytes'

PAA240k-AM Original data.rar

DATASET for 1st manuscript (Liquid crystalline coatings loaded with colistin for preventing development of biofilms on orthopedic implants )

Pressure-annealed high-entropy sulfide data

Dataset of Carbon Nanostructures for "Prediction of Carbon Nanostructure Mechanical Properties and the Role of Defects Using Machine Learning"

Supporting data for "Chemical Auxiliary for Photocatalytic Active Colloids"

Dataset for "Simple surface treatment of conjugated polymers for enhanced cell adhesion using UV-Ozone"

raw data for Co-Cr spinel main text

Definitive Proof of the Riemann Hypothesis and theDistribution of Prime Numbers

Resolution of the Riemann Hypothesis and the Hilbert-Pólya Conjecture

Strategies for Overcoming Ionic Transport Limitations in Polymer Electrolytes

Investigation of Electron Irradiation Induced Amorphous to Crystalline Phase Transformations in Nanostructured Ceramics

Origin data file and plots

FIB-SEM tomography data

Supporting Data for "Study of Atomically Precise Metal Nanoclusters and Their Hybrids for Catalysis and Energy Storage"

Data Windmill Droplets.zip

Punctaria latifolia as a new source of alginate: structural characteristics and biological activity

"Superconductor Problem Solved: Application of the Extended Navier-Stokes Equation"

B2C2.vaspFirst-principles prediction of new stable 2D orthorhombic (o)-B2CN and o-B2C2 materials for hydrogen storage applications via lithium decoration.

B2C2-supercell.vaspFirst-principles prediction of new stable 2D orthorhombic (o)-B2CN and o-B2C2 materials for hydrogen storage applications via lithium decoration.

B2CN.vaspFirst-principles prediction of new stable 2D orthorhombic (o)-B2CN and o-B2C2 materials for hydrogen storage applications via lithium decoration.

B2CN-supercell.vaspFirst-principles prediction of new stable 2D orthorhombic (o)-B2CN and o-B2C2 materials for hydrogen storage applications via lithium decoration.

data.xlsxFirst-principles prediction of new stable 2D orthorhombic (o)-B2CN and o-B2C2 materials for hydrogen storage applications via lithium decoration.

Supplementary Dataset for "Molecular Self-Assembly, Rearrangement and Disassembly of {Cr₆} Horseshoe Oligomers"