Publications by authors named "TA Arias"

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Ab Initio Electron-Phonon-Coupling Theory of Elastic Helium-Atom Scattering.
Cristóbal Méndez, C J Thompson, M F Van Duinen, S J Sibener, Tomás A Arias

Phys Rev Lett· November 2025

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Unmasking Charge Transfer in the Misfits: ARPES and Ab Initio Prediction of Electronic Structure in Layered Incommensurate Systems without Artificial Strain.
Drake Niedzielski, Brendan D Faeth, Berit H Goodge, Mekhola Sinha, Tyrel M McQueen, Tomás A Arias

Phys Rev Lett· November 2025

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Small-area population forecasting in a segregated city using density-functional fluctuation theory.
Yuchao Chen, Yunus A Kinkhabwala, Boris Barron, Matthew Hall, Tomás A Arias

J Comput Soc Sci· August 2024

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Oxygen Reduction Pathway for Spinel Metal Oxides in Alkaline Media: An Experimentally Supported Ab Initio Study.
Colin R Bundschu, Mahdi Ahmadi, Juan F Méndez-Valderrama, Yao Yang, Héctor D Abruña, Tomás A Arias

J Am Chem Soc· February 2024

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Fully Ab Initio Approach to Inelastic Atom-Surface Scattering.
Michelle M Kelley, Ravishankar Sundararaman, Tomás A Arias

Phys Rev Lett· January 2024

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Single-Crystal Alkali Antimonide Photocathodes: High Efficiency in the Ultrathin Limit.
C T Parzyck, A Galdi, J K Nangoi, W J I DeBenedetti, J Balajka, T A Arias

Phys Rev Lett· March 2022

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A combined helium atom scattering and density-functional theory study of the Nb(100) surface oxide reconstruction: Phonon band structures and vibrational dynamics.
Alison A McMillan, Caleb J Thompson, Michelle M Kelley, Jacob D Graham, Tomás A Arias

J Chem Phys· March 2022

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Micrometer-sized electrically programmable shape-memory actuators for low-power microrobotics.
Qingkun Liu, Wei Wang, Michael F Reynolds, Michael C Cao, Marc Z Miskin, Tomas A Arias

Sci Robot· March 2021

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Suppression of nano-hydride growth on Nb(100) due to nitrogen doping.
R Darren Veit, Rachael G Farber, Nathan S Sitaraman, Tomas A Arias, S J Sibener

J Chem Phys· June 2020

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Ab Initio Mismatched Interface Theory of Graphene on α-RuCl_{3}: Doping and Magnetism.
Eli Gerber, Yuan Yao, Tomas A Arias, Eun-Ah Kim

Phys Rev Lett· March 2020

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Density-functional fluctuation theory of crowds.
J Felipe Méndez-Valderrama, Yunus A Kinkhabwala, Jeffrey Silver, Itai Cohen, T A Arias

Nat Commun· August 2018

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Direct visualization of sulfur cathodes: new insights into Li-S batteries via X-ray based methods.
Seung-Ho Yu, Xin Huang, Kathleen Schwarz, Rong Huang, Tomás A Arias

Energy Environ Sci· January 2018

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JDFTx: software for joint density-functional theory.
Ravishankar Sundararaman, Kendra Letchworth-Weaver, Kathleen A Schwarz, Deniz Gunceler, Yalcin Ozhabes, T A Arias

SoftwareX· November 2017

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Designing solid-liquid interphases for sodium batteries.
Snehashis Choudhury, Shuya Wei, Yalcin Ozhabes, Deniz Gunceler, Michael J Zachman, Tomas A Arias

Nat Commun· October 2017

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Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry.
Ravishankar Sundararaman, William A Goddard, Tomas A Arias

J Chem Phys· March 2017

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Tick-host conflict: immunoglobulin E antibodies to tick proteins in patients with anaphylaxis to tick bite.
Lourdes Mateos-Hernández, Margarita Villar, Angel Moral, Carmen García Rodríguez, Teresa Alfaya Arias

Oncotarget· March 2017

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Structure of the Photo-catalytically Active Surface of SrTiO3.
Manuel Plaza, Xin Huang, J Y Peter Ko, Mei Shen, Burton H Simpson, Tomás A Arias

J Am Chem Soc· June 2016

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Computationally efficient dielectric calculations of molecular crystals.
Kathleen A Schwarz, Ravishankar Sundararaman, T A Arias

J Chem Phys· June 2015

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Spicing up continuum solvation models with SaLSA: the spherically averaged liquid susceptibility ansatz.
Ravishankar Sundararaman, Kathleen A Schwarz, Kendra Letchworth-Weaver, T A Arias

J Chem Phys· February 2015

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Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models.
Ravishankar Sundararaman, Deniz Gunceler, T A Arias

J Chem Phys· October 2014

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A recipe for free-energy functionals of polarizable molecular fluids.
Ravishankar Sundararaman, Kendra Letchworth-Weaver, T A Arias

J Chem Phys· April 2014

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Nanoscale imaging of lithium ion distribution during in situ operation of battery electrode and electrolyte.
Megan E Holtz, Yingchao Yu, Deniz Gunceler, Jie Gao, Ravishankar Sundararaman, Tomás A Arias

Nano Lett· March 2014

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Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways.
Kiran Mathew, Ravishankar Sundararaman, Kendra Letchworth-Weaver, T A Arias, Richard G Hennig

J Chem Phys· February 2014

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A computationally efficacious free-energy functional for studies of inhomogeneous liquid water.
Ravishankar Sundararaman, Kendra Letchworth-Weaver, T A Arias

J Chem Phys· July 2012

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Classical density-functional theory of inhomogeneous water including explicit molecular structure and nonlinear dielectric response.
Johannes Lischner, T A Arias

J Phys Chem B· February 2010

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