Molecular Twister: A Game for Exploring Solution Chemistry

Molecular Twister: A Game for Exploring Solution Chemistry†

Exploring molecular physics and quantum chemistry with NaLi molecules

In the past few decades, advancements in atom cooling technology have allowed for the study of atoms and molecules at very low nanoKelvin temperatures. These experiments have demonstrated a high level of control over individual quantum states and have been useful in studying fundamental aspects of quantum mechanics. Ultracold atoms have proven to be especially valuable for studying interacting ...

A New Solution for 7x7 Hex Game

Abstract. In this paper, we applied the decomposition method to obtain a new winning strategy for 7x7 Hex game. We also find that some positions on the 7x7 Hex board, which are called “trivial positions”, were never occupied by Black among all of strategies in the new solution. In other words, Black can still win the game by using the strategies described in this paper even if White already has...

Exploring Chemistry Using SMT

How to synthesize molecules is a fundamental and well studied problem in chemistry. However, computer aided methods are still under-utilized in chemical synthesis planning. Given a specific chemistry (a set of chemical reactions), and a specified overall chemical mechanism, a number of exploratory questions are of interest to a chemist. Examples include: what products are obtainable, how to fin...

Exploring Tuning Strategies for Quantum Chemistry Computations

Effective execution of applications using a parallel computing environment that share resources such as network bandwidth, I/O and main memory require that some sort of adaptive mechanism be put in place which enables efficient usage of these resources. The adaptation adjusts the most computationally intensive part of the application thus leading to an efficient execution. General Atomic and Mo...