Research Articles
When Atoms Meet Qubits: The Quantum Revolution in Chemistry
Exploring the complex but fruitful relationship between molecular chemistry and quantum mechanics in celebration of the International Year of Quantum Science and Technology.
The Quantum Kitchen: How Chemists Interpret Between the Unseen and the Seen
Explore how theoretical chemists bridge the gap between quantum chemistry and classical structural theory through interpretation.
The Quantum Tug-of-War: How a Tiny Molecule Exposes a Flaw in Our Digital Chemistry Lab
Discover how a simple diamine cation reveals critical flaws in computational chemistry methods and how self-interaction correction provides solutions.
Quantum Computers in a Test Tube: How Computational Chemistry is Predicting NMR and Acidity in Solid Catalysts
Explore how quantum chemical calculations revolutionize NMR spectroscopy and acidity prediction in solid catalysts through computational breakthroughs like IMPRESSION-G2.
Quantum Alchemy: The Ultimate Control of Chemical Reactions
Exploring the breakthrough in state-to-state chemistry for three-body recombination in ultracold rubidium gas and its implications for quantum control.
Neither Physics nor Chemistry: A History of Quantum Chemistry
Explore the fascinating history of quantum chemistry, a discipline that bridges physics and chemistry to explain molecular behavior at the quantum level.
When Chemistry Met Physics: A Revolutionary Scientific Union
Explore the profound partnership between chemistry and physics through quantum chemistry and its implications for our understanding of reality.
Unlocking the Atom: Why Building a Quantum Chemistry Program is the Ultimate Teen Science Project
Discover how developing quantum chemical programs can transform science education for gifted high school students, bridging physics, math, and computer science.
Quantum Detectives: How Scientists Decode the Secret Language of Molecules
Explore how computational chemists unravel molecular mysteries through theoretical investigation of vibronic, spin-orbit, and hyperfine interactions in polyatomic molecules.
The Quantum Whisper: How Light-Matter Conversations Are Rewriting Chemistry's Rules
Exploring how quantum coherence and light-matter interactions are revolutionizing chemical reaction control through vibrational polaritons and optical cavities.