Theory, computation, and simulation are foundational to modern energy research. Theoretical understanding reveals why materials and systems behave as they do, predicting performance before experiments ...

Dr. Albert Solé-Daura and Prof. Feliu Maseras have explored the application of the Marcus theory, traditionally used to model electron transfer, to estimate the free-energy barriers underlying energy ...

Quantum researchers in the twenty-first century are part of an international network that requires a great deal of interaction and communication. Around one hundred publications on the topic are ...

Computational thermodynamics has emerged as a cornerstone of modern materials engineering by providing quantitative predictions of phase stability, transformation pathways and thermophysical ...

Soon after it was released a few short years ago, I began to delve into Steven Wolfram's new book, "A Fundamental Theory of Physics." I have followed his work since the early '90s when I first used ...