New theoretical physics research introduces a simulation method of machine-learning-based effective Hamiltonian for super-large-scale atomic structures. This effective Hamiltonian method could ...

A team of researchers say that the current computational methods for predicting how proteins will bind are inadequate. They ...

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 ...

Systems biology is a rapidly evolving discipline that examines the complex interactions underlying biological function ...

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 ...

Numerical simulations in physics often require estimating a multitude of parameters, making the process computationally expensive and complex. Researchers at University of Tsukuba have introduced a ...