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William A. Goddard
教授


 

William Goddard教授是美国科学院院士,材料模拟领域国际上的学术权威,美国加州理工学院化学与应用物理系教授,材料模拟中心主任。

William Goddard教授及其团队研究的长期目标是从第一原理(无经验数据的必要性)出发来直接描述化学、生物和材料系统的性能。其团队一直在开发新的理论、新的方法和新的软件。

 

个人主页:

 

部分发表文章:

[1] Atomistic Origin of Brittle Failure of Boron Carbide from Large-Scale Reactive Dynamics Simulations: Suggestions toward Improved Ductility An Q & Goddard WA Phys. Rev. Lett., 115 (10): 105501 DOI: 10.1103/PhysRevLett.115.105501 (2015) 1127.


[2] Redox Control of the Binding Modes of an Organic Receptor Frasconi M; Fernando IR; Wu Y; Liu Z; Liu WG; Dyar SM, Barin G; Wasielewski MR; Goddard WA & Stoddart JF J. Am. Chem. Soc., Article ASAP DOI: 10.1021/jacs.5b05618 (2015) 1125.


[3] Rescaling of metal oxide nanocrystals for energy storage having high capacitance and energy density with robust cycle life Jeong HM; Choi KM; Cheng T; Lee DK; Zhou R; Ock IW; Milliron DJ; Godddard WA & Kang JK Proc. Nat. Acad. Sci. USA, 112 (26): 7914-7919 (2015) 1124.


[4] The Reaction Mechanism with Free Energy Barriers for Electrochemical Dihydrogen Evolution on MoS2 Huang Y; Nielsen RJ; Goddard WA & Soriaga MP J. Am. Chem. Soc., 137 (20): 6692-6698 (2015) 1120.


[5] In Silico Design of Highly Selective Mo-V-Te-Nb-O Mixed Metal Oxide Catalysts for Ammoxidation and Oxidative Dehydrogenation of Propane and Ethane Cheng MJ & Goddard, William A., III J. Am. Chem. Soc., 137 (41): 13224-13227 (2015) 1119.


[6] Atomic-Level Understanding of “Asymmetric Twins” in Boron Carbide Xie KY; An Q, Toksoy MF; McCauley JW; Haber RA, Goddard WA & Hemker KJ Phys. Rev. Lett., 115, (17): 1755018 (2015) 1117.


[7] Energetics and Solvation Effects at the Photoanode/Catalyst Interface: Ohmic Contact versus Schottky Barrier Ping Y; Goddard WA & Galli GA J. Am. Chem. Soc., 137, 5264−5267 DOI: 10.1021/jacs.5b00798 (2015) 1112.


[8] Theoretical predictions for hot-carrier generation from surface plasmon decay Sundararaman R; Narang P; Jermyn, AS; Goddard WA & Atwater HA Nature Comm., 5, Article Number: 578 DOI: 10.1038/ncomms6788 (2014) 1098.

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