Research Articles
Mapping Potential Energy Surfaces for Equilibrium Structures: From Fundamental Concepts to Advanced Applications in Drug Discovery
This comprehensive review explores the critical role of potential energy surface (PES) mapping in determining molecular equilibrium structures, with special emphasis on applications in pharmaceutical research and drug development.
AI and Quantum Chemistry: Computational Approaches for Mapping Chemical Reaction Mechanisms in Drug Discovery
This article explores the transformative role of computational chemistry in elucidating chemical reaction mechanisms, a cornerstone of modern drug discovery and development.
Density Functional Theory: A Quantum Leap in Predicting Molecular Properties for Drug Development
This article explores the transformative role of Density Functional Theory (DFT) in predicting molecular properties for pharmaceutical research and development.
Ab Initio Quantum Chemistry for Electron Correlation: From Theoretical Foundations to Drug Discovery Applications
This article provides a comprehensive overview of ab initio quantum chemistry methodologies for treating electron correlation, a critical challenge in predicting molecular behavior with high accuracy.
From Waste to Water: The Science Behind Safely Turning Wastewater into Crop Irrigation
Explore the science and parameters for safely reusing treated wastewater in agriculture. Learn about treatment technologies, benefits, risks, and the path forward.
Seeing the Unseeable: How Lab-Based Hard X-Rays are Revealing Hidden Worlds
Explore how laboratory-based hard X-ray techniques are revolutionizing materials science by revealing buried interfaces and nanostructures in semiconductors, batteries, and biological materials.
The Tiny Chemical Revolution Supercharging Our Computer Chips
Discover how scientists are using organotin clusters and ambient-pressure XPS to revolutionize computer chip manufacturing through real-time molecular observation.
The Hidden Language of Chemistry: How Signs Shape Scientific Knowledge
Exploring how semiotics and Peircean theory reveal how chemists think, communicate, and construct knowledge through signs and representations.
The Secret Life of Glass: Unveiling Universal Mysteries in a Molten Salt
Explore the fascinating properties of Ca₀.₄K₀.₆(NO₃)₁.₄ (CKN), a glass-forming molten salt that reveals universal dynamic principles in both ion conductivity and liquid-glass relaxation.
Seeing the Unseeable: How Scientists Are Now Capturing Chemical Fingerprints of Single Molecules
Explore the revolutionary technology of single-molecule surface-enhanced Raman spectroscopy (SM-SERS) that enables detection of individual molecules with unprecedented sensitivity.