Handgraaf, Jan-Willem van Erp, Titus S and Meijer, Evert Jan 2003. Ab initio molecular dynamics study of liquid methanol. Chemical Physics Letters, Vol. 367, Issue. 5-6, p. 617.
This is made possible by combining advanced free energy methods and state-of-the-art machine learning techniques. The ab initio description leads to structural properties in excellent agreement with ...
This is a project for using WFU's high-performance computing cluster to study the ab-initio methods for magnetic and spin-phonon coupling. The code will open an input file (=.pipe) for a specific ...
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This chapter illustrates through few examples that first‐principles studies have contributed greatly to our present understanding of the physical properties of hybrid organic perovskites (HOP) and may ...
The South Bow River Bridge project will support approximately 250 jobs and will be completed in 2024. During construction, on-site signage will share information about traffic impacts. Please plan ...
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Class AB amplifiers combine Class A and Class B to achieve an amplifier with more efficiency than Class A but with lower distortion than class B. This is achieved by biasing both transistors so they ...