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 ...

There is good evidence that quantum computers are more powerful than classical computers, and that various simple modifications of quantum theory yield computational power that is dramatically greater ...

Social factors have an outsized role in the progression and treatment of psychiatric conditions, but existing computational models often neglect social context. We propose that integrating social ...

Pose a question to a Magic 8 Ball, and it’ll answer yes, no or something annoyingly indecisive. We think of it as a kid’s toy, but theoretical computer scientists employ a similar tool. They often ...

Computer Scientists are the broad group of individuals who utilize their skills to perform, develop, and improve computation. Computation is all around us: On our laptops, in our phones, running web ...

Computer science, at its most fundamental, is all about inputs and outputs. Consider the simple case of multiplying two numbers on a pocket calculator. You punch in some inputs — the specific numbers ...