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- Jan 3, 2023
Surfactant-Impregnated MOF-Coated Fabric for Antimicrobial Applications
Gregory R. Schwenk, et al. ACS Applied Bio Materials, 2023, 6(1), 238-245- Publication
- Feb 11, 2023
Antibacterial, Antioxidant, and in silico NADPH Oxidase Inhibition Studies of Essential Oils of Lavandula dentata against Foodborne Pathogens
“Youness El Abdali, et al. Evidence-Based Complementary and Alternative Medicine, 2023, 2023, 1-12- Publication
- Jan 6, 2023
Virtual Screening of Soybean Protein Isolate-Binding Phytochemicals and Interaction Characterization
Panhang Liu, et al. Foods, 2023, 12(2), 272- Publication
- Feb 5, 2023
Multiscale calculation of carrier mobility in organic solids through the fine-tuned kinetic Monte Carlo simulation
Gyubong Kim, Computational Materials Science, 2022, 218(5), 111957- Publication
- Apr 21, 2022
A Computer Simulation Study of Thermal and Mechanical Properties of Poly(Ionic Liquid)s
Youngseon Shim, et al. Membranes, 2022, 12(5)- Publication
- Apr 21, 2022
The influence of axial fluorination of SubPc on the photoresponse performances of small-molecule organic photodiodes
Feifei Fang, et al. Journal of Materials Chemistry C, 2022, 40- Publication
- Mar 1, 2022
A Molecular-Switch-Embedded Organic Photodiode for Capturing Images against Strong Backlight
Mingyun Kang, et al. Advanced Materials, 2022, 34(17), 2200526- Publication
- Oct 12, 2022
Dense Local Triplet States and Steric Shielding of a Multi-Resonance TADF Emitter Enable High-Performance Deep-Blue OLEDs
Hyung-Jin Cheon, et al. Advanced Materials, 2022, 34(50), 2207416- Publication
- Jan 1, 2022
Theoretical predictions of nonlinear optical characteristics of Y-type chromophores with quinoxaline moieties in a bridge
Alina I. Levitskay, et al. Computational and Theoretical Chemistry, 2022, 1207, 113535- Publication
- Dec 15, 2022
Control of the horizontal dipole ratio and emission color of deep blue tetradentate Pt(II) complexes using aliphatic spacer groups
Jin-Suk Huh, et al. Chemical Engineering Journal, 2022, 450(1), 137836- Publication
- Aug 3, 2022
Manipulating Spectral Width and Emission Wavelength towards Highly Efficient Blue Asymmetric Carbazole Fused Multi-Resonance Emitters
Hyuna Lee, et al. ACS Applied Materials & Interfaces, 2022, 14(32), 36927-36935- Publication
- Oct 14, 2022
Inducing Singlet Fission in Perylene Thin Films by Molecular Contortion
Shantao Sun, et al. The Journal of Physical Chemistry A, 2022, 126(42), 7559-7565Case Studies
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- May 9, 2024
Microbial Biofilm Inhibition Using Magnetic Cross-Linked Polyphenol Oxidase Aggregates
Noori, et al. ACS Applied Bio Materials, 2024, 7(5), 3164-3178- Publication
- Feb 1, 2024
Stabilization of myoglobin from different species (produced by cellular agriculture) using food-grade natural and synthetic antioxidants
Chung, et al. Food Res Int, 2024, 178, 113965- Publication
- Jun 7, 2024
Nanoscale analysis of plastic contaminants migration in packaging materials and potential leaching into model food systems
Mileo, et al. Langmuir, 2024, 40(24), 12475-12487Quick Reference Sheets
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Modeling Receptor Binding in an Olfactory Protein
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Building a Coarse-Grained Skin Model using Martini Force Field
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Purposeful simulation: Maximising impact in surface chemistry modelling
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Computationally-Guided Drug Formulation Webinar Series
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- Oct 9, 2024
Webinar Series: From Molecules to Materials Applications
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From Molecules to Optics
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- May 6, 2024
Closing the gap between material discovery and engineering design with multiscale simulation
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