Quantum Chemistry Research Repository

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

Research Articles

Quantum Leaps: How a Special Chemistry Issue Explains Our World

Exploring the impact of quantum chemistry through IUPAC's special issue celebrating the International Year of Quantum Science and Technology

Michael Long
Nov 14, 2025

When Molecules Meet Quantum: A Century-Long Dance

Exploring the complex relationship between molecular chemistry and quantum mechanics, celebrating the International Year of Quantum Science and Technology 2025.

Christian Bailey
Nov 14, 2025

A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences

An exploration of electron density and its crucial role in chemistry, biology, and materials science, featuring cutting-edge research and visualization techniques.

Christopher Bailey
Nov 01, 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 Hydrogen Bond Rebel: How Pavel Hobza Is Rewriting Chemistry Textbooks

Discover how Professor Pavel Hobza's groundbreaking discovery of the hydridic hydrogen bond is challenging conventional chemistry and rewriting textbooks worldwide.

Sofia Henderson
Oct 30, 2025

150 Years of BASF: Pioneering the Future of Chemistry Through Innovation and Sustainability

Explore BASF's 150-year journey from dyes to sustainable solutions, AI-driven research, and the future of chemistry through innovation and collaboration.

Lillian Cooper
Oct 29, 2025

AI Chemist: How Large Language Models Are Revolutionizing Molecular Design

Explore how large language models are transforming organic chemistry synthesis, accelerating drug discovery and molecular design through AI-human collaboration.

Logan Murphy
Oct 28, 2025

Seeing the Unseeable: How Quantum Trajectories Reveal Hidden Reactions

Explore how quantum trajectory dynamics enable scientists to observe and simulate chemical reactions at the atomic scale, revealing quantum behavior in enzymes and materials.

Victoria Phillips
Oct 28, 2025

The Invisible Workforce: How Tiny Reagents Power Giant Scientific Discoveries

Explore how precision-prepared solutions and reagents drive scientific discoveries in chemistry and biology, from fundamental concepts to groundbreaking experiments.

Leo Kelly
Oct 28, 2025

A New Lens on Matter: How Relational Ontology is Revolutionizing Chemistry

Explore how relational ontology is transforming chemistry through knowledge graphs and AI approaches to handle chemical data overload.

Claire Phillips
Oct 28, 2025

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