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Items: 10

1.

Implicit self-consistent electrolyte model in plane-wave density-functional theory.

Mathew K, Kolluru VSC, Mula S, Steinmann SN, Hennig RG.

J Chem Phys. 2019 Dec 21;151(23):234101. doi: 10.1063/1.5132354.

PMID:
31864239
2.

High-throughput computational X-ray absorption spectroscopy.

Mathew K, Zheng C, Winston D, Chen C, Dozier A, Rehr JJ, Ong SP, Persson KA.

Sci Data. 2018 Jul 31;5:180151. doi: 10.1038/sdata.2018.151.

3.

Interface-Driven Structural Distortions and Composition Segregation in Two-Dimensional Heterostructures.

Ditto J, Merrill DR, Mitchson G, Gabriel JJ, Mathew K, Hennig RG, Medlin DL, Browning ND, Johnson DC.

Angew Chem Int Ed Engl. 2017 Nov 13;56(46):14448-14452. doi: 10.1002/anie.201707270. Epub 2017 Oct 2.

PMID:
28879685
4.

Computational Screening of 2D Materials for Photocatalysis.

Singh AK, Mathew K, Zhuang HL, Hennig RG.

J Phys Chem Lett. 2015 Mar 19;6(6):1087-98. doi: 10.1021/jz502646d. Epub 2015 Mar 12.

PMID:
26262874
5.

Density functional theory study of the electrochemical interface between a Pt electrode and an aqueous electrolyte using an implicit solvent method.

Sakong S, Naderian M, Mathew K, Hennig RG, GroƟ A.

J Chem Phys. 2015 Jun 21;142(23):234107. doi: 10.1063/1.4922615.

PMID:
26093550
6.

Damaging the Integrated HIV Proviral DNA with TALENs.

Strong CL, Guerra HP, Mathew KR, Roy N, Simpson LR, Schiller MR.

PLoS One. 2015 May 6;10(5):e0125652. doi: 10.1371/journal.pone.0125652. eCollection 2015.

7.

Solid-solid phase transformations induced through cation exchange and strain in 2D heterostructured copper sulfide nanocrystals.

Ha DH, Caldwell AH, Ward MJ, Honrao S, Mathew K, Hovden R, Koker MK, Muller DA, Hennig RG, Robinson RD.

Nano Lett. 2014 Dec 10;14(12):7090-9. doi: 10.1021/nl5035607. Epub 2014 Nov 7.

PMID:
25337657
8.

The HIVToolbox 2 web system integrates sequence, structure, function and mutation analysis.

Sargeant DP, Deverasetty S, Strong CL, Alaniz IJ, Bartlett A, Brandon NR, Brooks SB, Brown FA, Bufi F, Chakarova M, David RP, Dobritch KM, Guerra HP, Hedden MW, Kumra R, Levitt KS, Mathew KR, Matti R, Maza DQ, Mistry S, Novakovic N, Pomerantz A, Portillo J, Rafalski TF, Rathnayake VR, Rezapour N, Songao S, Tuggle SL, Yousif S, Dorsky DI, Schiller MR.

PLoS One. 2014 Jun 2;9(6):e98810. doi: 10.1371/journal.pone.0098810. eCollection 2014.

9.

The Geogenomic Mutational Atlas of Pathogens (GoMAP) web system.

Sargeant DP, Hedden MW, Deverasetty S, Strong CL, Alaniz IJ, Bartlett AN, Brandon NR, Brooks SB, Brown FA, Bufi F, Chakarova M, David RP, Dobritch KM, Guerra HP, Levit KS, Mathew KR, Matti R, Maza DQ, Mistry S, Novakovic N, Pomerantz A, Rafalski TF, Rathnayake V, Rezapour N, Ross CA, Schooler SG, Songao S, Tuggle SL, Wing HJ, Yousif S, Schiller MR.

PLoS One. 2014 Mar 27;9(3):e92877. doi: 10.1371/journal.pone.0092877. eCollection 2014.

10.

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

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