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Items: 8

1.

How heteroepitaxy occurs on strontium titanate.

Cook S, Letchworth-Weaver K, Tung IC, Andersen TK, Hong H, Marks LD, Fong DD.

Sci Adv. 2019 Apr 12;5(4):eaav0764. doi: 10.1126/sciadv.aav0764. eCollection 2019 Apr.

2.

Improving accuracy of electrochemical capacitance and solvation energetics in first-principles calculations.

Sundararaman R, Letchworth-Weaver K, Schwarz KA.

J Chem Phys. 2018 Apr 14;148(14):144105. doi: 10.1063/1.5024219.

PMID:
29655358
3.

JDFTx: software for joint density-functional theory.

Sundararaman R, Letchworth-Weaver K, Schwarz KA, Gunceler D, Ozhabes Y, Arias TA.

SoftwareX. 2017;6:278-284. doi: 10.1016/j.softx.2017.10.006. Epub 2017 Nov 14.

4.

Structure of the Photo-catalytically Active Surface of SrTiO3.

Plaza M, Huang X, Ko JY, Shen M, Simpson BH, Rodríguez-López J, Ritzert NL, Letchworth-Weaver K, Gunceler D, Schlom DG, Arias TA, Brock JD, Abruña HD.

J Am Chem Soc. 2016 Jun 29;138(25):7816-9. doi: 10.1021/jacs.6b03338. Epub 2016 Jun 15.

PMID:
27281231
5.

Spicing up continuum solvation models with SaLSA: the spherically averaged liquid susceptibility ansatz.

Sundararaman R, Schwarz KA, Letchworth-Weaver K, Arias TA.

J Chem Phys. 2015 Feb 7;142(5):054102. doi: 10.1063/1.4906828.

PMID:
25662631
6.

A recipe for free-energy functionals of polarizable molecular fluids.

Sundararaman R, Letchworth-Weaver K, Arias TA.

J Chem Phys. 2014 Apr 14;140(14):144504. doi: 10.1063/1.4870653.

PMID:
24735302
7.

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways.

Mathew K, Sundararaman R, Letchworth-Weaver K, Arias TA, Hennig RG.

J Chem Phys. 2014 Feb 28;140(8):084106. doi: 10.1063/1.4865107.

PMID:
24588147
8.

A computationally efficacious free-energy functional for studies of inhomogeneous liquid water.

Sundararaman R, Letchworth-Weaver K, Arias TA.

J Chem Phys. 2012 Jul 28;137(4):044107. doi: 10.1063/1.4737392.

PMID:
22852597

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