360??�� -View of Quantum Theory and Ab Initio Simulation at Extreme Conditions: 2014 Sanibel Symposium

Cheng, Hai-Ping¹ 

[1] Univ. of Florida, Gainesville, FL (United States)

关键词: 360-view;    ab initio;    density functional theory;    methodology;    Sanibel Symposium;   

DOI  :  10.2172/1315303
RP-ID  :  DOE-UF-QTP--Sanible2014
PID  :  OSTI ID: 1315303

美国|英语

来源: SciTech Connect

【 摘 要 】

The Sanibel Symposium 2014 was held February 16-21 2014 at the King and Prince, St. Simons Island, GA. It was successful in bringing condensed-matter physicists and quantum chemists together productively to drive the emergence of those specialties. The Symposium had a significant role in preparing a whole generation of quantum theorists. The 54th Sanibel meeting looked to the future in two ways. We had 360??��-View sessions to honor the exceptional contributions of Rodney Bartlett (70), Bill Butler (70), Yngve ??hrn (80), Fritz Schaefer (70), and Malcolm Stocks (70). The work of these five has greatly impacted several generations of quantum chemists and condensed matter physicists. The ???360??��??? is the sum of their ages. More significantly, it symbolizes a panoramic view of critical developments and accomplishments in theoretical and computational chemistry and physics oriented toward the future. Thus, two of the eight 360??��-View sessions focused specifically on younger scientists. The 360??��-View program was the major component of the 2014 Sanibel meeting. Another four sessions included a sub-symposium on ab initio Simulations at Extreme Conditions, with focus on getting past the barriers of present-day Born-Oppenheimer molecular dynamics by advances in finite-temperature density functional theory, orbital-free DFT, and new all-numerical approaches.