Quantum Chemistry Research Repository

Access in-depth studies on molecular simulations, electronic structure theories, and quantum computational advancements

Research Articles

The Hidden Flaws That Shape Our Tech: Stress and Defects in Silicon Carbide

Explore how microscopic stress and stacking faults in silicon carbide impact modern electronics and the scientific methods used to detect them.

Victoria Phillips
Nov 01, 2025

Quantum Tug-of-War: How Pressure and Chemistry Reshape a Quantum Material

Explore how hydrostatic pressure and chemical substitution tune phase transitions in UCr₂Si₂, revealing the quantum interplay between structure and magnetism.

Samantha Morgan
Oct 31, 2025

NaxCoO2: The Shape-Shifting Crystal Powering Tomorrow's Technology

Explore the fascinating chemical, magnetic and electronic properties of NaxCoO2, a versatile material with applications in batteries, thermoelectrics and catalysts.

Aaron Cooper
Oct 31, 2025

The Hidden World of Quantum Magnets: Complex Antiferromagnetic Order on a Honeycomb Lattice

Explore the fascinating world of quantum magnets and complex antiferromagnetic order on honeycomb lattices, from theoretical foundations to experimental discoveries.

Logan Murphy
Oct 31, 2025

Quantum Computing: The New Ally for Chemical and Biochemical Engineers

Explore how quantum computing is revolutionizing molecular simulation, catalyst design, and drug discovery in chemical and biochemical engineering.

Noah Brooks
Oct 31, 2025

Seeing the Invisible: How Electron Spin Reveals Chemistry's Secrets

Explore how Electron Paramagnetic Resonance (EPR) spectroscopy helps scientists study molecules with unpaired electrons and their applications in chemistry.

Christopher Bailey
Oct 31, 2025

The Molecule in Two Worlds: How Classical Chemistry and Quantum Physics Coexist

Exploring the enduring mystery of why classical molecular concepts remain empirically adequate despite quantum mechanical challenges

Scarlett Patterson
Oct 31, 2025

Cancer Chemotherapy: Teaching Old Drugs New Tricks

Explore how drug repurposing is revolutionizing cancer treatment by finding new uses for existing medications, reducing costs and development time.

Olivia Bennett
Oct 31, 2025

When Molecules Shatter: The Double Ionization of Ethylene and Acetylene

Exploring the quantum phenomena of photo double ionization in ethylene and acetylene molecules near threshold energy

Harper Peterson
Oct 31, 2025

Cracking Nature's Code: How Parallel Computing Unlocks Large-Molecule Mysteries

Explore how parallel direct SCF algorithms revolutionize quantum chemistry, enabling study of systems with tens of thousands of atoms through distributed computing.

Claire Phillips
Oct 31, 2025

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