A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

Many modern technological challenges crucially depend on the properties of surfaces and interfaces. This includes the control of charge and energy transfer across electrode/electrolyte interfaces in ...

Numerical modeling has played a pivotal role in advancing inertial microfluidics, tracing its development from inception and offering deeper insights into the microscale phenomena governing inertial ...

The process of discovering and designing new chemicals has always been arduous—Sijia Dong wants to change that. As an assistant professor in the department of chemistry and chemical biology, with ...

A new computational method extracts electronic band structures from finite, imperfect, and curved nanomaterials, linking nano ...

If you have a deep-seated, nagging worry over dropping your phone in molten lava, you're in luck. Materials scientists have developed a method for rapidly discovering a new class of materials with ...

Although much of its discovery process is descriptive and qualitative, chemistry is fundamentally a quantitative science. It serves a wide range of human needs, activities, and concerns. The ...