- Publication
- Jun 6, 2023
Spectra and photorelaxation of tris-biphenyl-triazine-type UV absorbers: from monomers to nanoparticles
Naumov, et al. Photochemical & Photobiological, 2023, 22, 2143-2151
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- May 31, 2023
Toward highly efficient deep-blue OLEDs: Tailoring the multiresonance-induced TADF molecules for suppressed excimer formation and near-unity horizontal dipole ratio
Kim, et al. Science Advances, 2023, 9(22)
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- May 26, 2023
Chemical reaction networks explain gas evolution mechanisms in Mg-Ion batteries
Spotte-Smith, et al. J. Am. Chem. Soc., 2023, 145(22), 12181–12192
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- May 23, 2023
Computational formulation study of insulin on biodegradable polymers
Devaraji, et al. RSV Adv, 2023, 13, 20282-20297
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- May 17, 2023
Whole-cell mediated carboxylation of 2-Furoic Acid towards the production of renewable platform chemicals and biomaterials
Lopez-Lorenzo, et al. ChemCatChem, 2023, e202201482
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- May 16, 2023
Synthesis of indole-based chromophores with a tricyanofuranyl acceptor and thestudy of the effect of the quinoxalinone core in the pi-electron bridge on thelinear and nonlinear optical properties
Islamova, et al. Open Access Journal for Organic Chemistry, 2023, 4
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- May 14, 2023
Steric Rooted Multi-Resonant Thermally Activated Delayed Fluorescent Emitters for Pure Blue Organic Light Emitting Diodes with Ultralow Efficiency Roll-Off
Ravindran, et al. Advanced Functional Materials, 2023, 33(35), 2213461
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- May 11, 2023
Organic and hybrid diode features of an n-Type 1,8-Naphthalimide derivative
Kagatikar, et al. Journal of Electronic Materials, 2023, 52, 5401-5411
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- May 10, 2023
Machine learning force field ranking of candidate solid electrolyte interphase structures in Li-ion batteries
Stevenson, et al. Open Review, 2023
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- May 9, 2023
Design, synthesis, and molecular modeling of new and safe azole oxime esters with promising antifungal activity
Yurtoğlu, et al. ChemistrySelect, 2023, 8(18)
- Publication
- May 8, 2023
Rhodium-Catalyzed Alkenylation of Arenes with Multi-Substituted Olefins: Comparison of Selectivity and Reaction Rate as a Function of Olefin Identity
Bennett, et al. Organometallics, 2023, 42(10), 908-920
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- May 2, 2023
A design strategy of exciton blocking materials using simulations and the analysis of device properties
Jung, et al. Journal of Materials Chemistry C, 2023, 11(21), 7030-7038
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Accelerating OLED innovation with multi-scale, multi-physics simulations
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Accelerating pharmaceutical formulations using machine learning approaches
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High-performance materials discovery: A decade of cloud-enabled breakthroughs
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Building Small Molecules in MS Maestro
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Building Organometallic Complexes in MS Maestro
The seventh video in the Getting Going with Materials Science (MS) Maestro Video Series: Buidling an organometallic complex.
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- Mar 17, 2025
Leveraging high-throughput molecular simulations and machine learning for the design of chemical mixtures
Chew, et al. npj Computational Matererials, 2025, 11, 72
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- Mar 5, 2025
A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study
Zhou, et al. Nature Communications, 2025, 16, 2210
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- Dec 10, 2024
Calculating apparent pKa values of ionizable lipids in lipid nanoparticles
Hamilton, et al. Molecular Pharmaceutics, 2024
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How L’Oreal Uses Digital Simulation to Explore Sustainable Product Ingredients
Most of us could name at least one cosmetic or personal care product that’s essential to looking and feeling our best. Whether it’s a specific kind of soap, a brand of mascara, the right shade of lipstick or the shampoo that works best for our hair, these products have become a critical part of our daily routine.
Uncovering Better Materials for the Spacecraft of Tomorrow
When it comes to solving problems for his job, the work done by Dr. Levi Moore actually is rocket science. As a research chemist with the United States Air Force Research Laboratory, he’s tasked with helping to develop new materials that make it easier and safer to launch rockets into space.
Sustainable Food Packaging Designed at the Atomic Level
Each year, an estimated 330 million metric tonnes of plastic are produced globally. A significant portion of that plastic becomes waste, clogging landfills, rivers, and the ocean for centuries, damaging ecosystems and negatively impacting human health.
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