Quantum Chemistry Research Repository

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

Research Articles

The Silent Guardian: How a Novel Benzothiazole Compound Fights Corrosion

Discover how 2-(4-methoxyphenyl)-benzothiazole acts as an effective green corrosion inhibitor for mild steel through experimental and computational approaches.

Elijah Foster
Nov 14, 2025

Nature's Nano-Factories: The Live-Cell Synthesis of Quantum Dots

Discover how scientists are turning living cells into microscopic factories for creating biocompatible quantum dots, revolutionizing medical imaging and cancer therapy.

Eli Rivera
Nov 14, 2025

The Quantum Sandbox: How Scientists Are Taming Light and Matter

Explore the fascinating world of cavity quantum electrodynamics where scientists engineer microscopic arenas to make light and matter interact in previously impossible ways.

Claire Phillips
Nov 14, 2025

Hybrid Nanomaterials: Engineering the Tiny Building Blocks for a Smarter, Greener Future

Explore how hybrid nanomaterials are revolutionizing technology through advanced sensors and sustainable catalytic processes for a greener future.

Camila Jenkins
Nov 13, 2025

The Glowing Within: How Autofluorescence is Revolutionizing Non-Invasive Detection

Discover how autofluorescence is transforming non-invasive detection in medicine and biology through natural light emission from biological materials.

Allison Howard
Nov 13, 2025

Breaking the Time Barrier: The Quest to Simulate Nature in Quantum Detail

Explore how strong scaling in molecular dynamics simulations is revolutionizing our ability to observe atomic processes with quantum accuracy.

Lillian Cooper
Nov 13, 2025

Decoding Nature's Blueprint: The Power of Density Functional Theory in TURBOMOLE

Explore how Density Functional Theory in TURBOMOLE revolutionizes computational chemistry and materials science through accurate quantum calculations.

Samantha Morgan
Nov 13, 2025

When Hydrogen Sulfide Meets Water: The Secret Network Shaping Our World

Exploring the molecular interactions between hydrogen sulfide and water in pentamer clusters and their impact on atmospheric chemistry, geothermal processes, and cellular signaling.

Hazel Turner
Nov 13, 2025

The Invisible Revolution: How Carbon Nanomaterials are Transforming Medicine

Explore how carbon-based nanomaterials are revolutionizing medicine through targeted drug delivery, tissue engineering, and advanced diagnostics.

Noah Brooks
Nov 13, 2025

Cracking Zirconium's Code: How Computer Science Unlocks New Materials for Medicine and Technology

Explore how parametrization of zirconium for DFTB3/3OB accelerates biomedical and materials science research through computational chemistry breakthroughs.

Liam Carter
Nov 13, 2025

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