☰

Tomás A. Arias - Publications

Affiliations: 
1993-1999 Massachusetts Institute of Technology, Cambridge, MA, United States 
 1999- Cornell University, Ithaca, NY, United States 
Website:
http://muchomas.lassp.cornell.edu/
Tree Info Similar researchers PubMed Report error

65 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Kelley MM, Sundararaman R, Arias TA. Fully Ab Initio Approach to Inelastic Atom-Surface Scattering. Physical Review Letters. 132: 016203. PMID 38242676 DOI: 10.1103/PhysRevLett.132.016203  0.586
2020 Karkare S, Adhikari G, Schroeder WA, Nangoi JK, Arias T, Maxson J, Padmore H. Ultracold Electrons via Near-Threshold Photoemission from Single-Crystal Cu(100). Physical Review Letters. 125: 054801. PMID 32794833 DOI: 10.1103/Physrevlett.125.054801  0.357
2020 Veit RD, Farber RG, Sitaraman NS, Arias TA, Sibener SJ. Suppression of nano-hydride growth on Nb(100) due to nitrogen doping. The Journal of Chemical Physics. 152: 214703. PMID 32505166 DOI: 10.1063/5.0007042  0.36
2020 Gerber E, Yao Y, Arias TA, Kim EA. Ab Initio Mismatched Interface Theory of Graphene on α-RuCl_{3}: Doping and Magnetism. Physical Review Letters. 124: 106804. PMID 32216436 DOI: 10.1103/Physrevlett.124.106804  0.303
2019 Galdi A, Pierce CM, Cultrera L, Adhikari G, Schroeder WA, Paik H, Schlom DG, Nangoi JK, Arias TA, Lochocki E, Parzyck C, Shen KM, Maxson JM, Bazarov IV. Low energy photoemission from (100) Ba1−xLaxSnO3 thin films for photocathode applications The European Physical Journal Special Topics. 228: 713-718. DOI: 10.1140/Epjst/E2019-800175-X  0.324
2018 Méndez-Valderrama JF, Kinkhabwala YA, Silver J, Cohen I, Arias TA. Density-functional fluctuation theory of crowds. Nature Communications. 9: 3538. PMID 30166535 DOI: 10.1038/S41467-018-05750-Z  0.355
2017 Choudhury S, Wei S, Ozhabes Y, Gunceler D, Zachman MJ, Tu Z, Shin JH, Nath P, Agrawal A, Kourkoutis LF, Arias TA, Archer LA. Designing solid-liquid interphases for sodium batteries. Nature Communications. 8: 898. PMID 29026067 DOI: 10.1038/S41467-017-00742-X  0.35
2017 Sundararaman R, Goddard WA, Arias TA. Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry. The Journal of Chemical Physics. 146: 114104. PMID 28330356 DOI: 10.1063/1.4978411  0.704
2016 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. Structure of the photo-catalytically active surface of SrTiO3. Journal of the American Chemical Society. PMID 27281231 DOI: 10.1021/Jacs.6B03338  0.768
2015 Schwarz KA, Sundararaman R, Arias TA. Computationally efficient dielectric calculations of molecular crystals. The Journal of Chemical Physics. 142: 214101. PMID 26049473 DOI: 10.1063/1.4921942  0.6
2015 Sundararaman R, Schwarz KA, Letchworth-Weaver K, Arias TA. Spicing up continuum solvation models with SaLSA: the spherically averaged liquid susceptibility ansatz. The Journal of Chemical Physics. 142: 054102. PMID 25662631 DOI: 10.1063/1.4906828  0.79
2014 Sundararaman R, Gunceler D, Arias TA. Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models. The Journal of Chemical Physics. 141: 134105. PMID 25296782 DOI: 10.1063/1.4896827  0.649
2014 Sundararaman R, Letchworth-Weaver K, Arias TA. A recipe for free-energy functionals of polarizable molecular fluids. The Journal of Chemical Physics. 140: 144504. PMID 24735302 DOI: 10.1063/1.4870653  0.799
2014 Mathew K, Sundararaman R, Letchworth-Weaver K, Arias TA, Hennig RG. Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways. The Journal of Chemical Physics. 140: 084106. PMID 24588147 DOI: 10.1063/1.4865107  0.794
2014 Holtz ME, Yu Y, Gunceler D, Gao J, Sundararaman R, Schwarz KA, Arias TA, Abruña HD, Muller DA. Nanoscale imaging of lithium ion distribution during in situ operation of battery electrode and electrolyte. Nano Letters. 14: 1453-9. PMID 24548177 DOI: 10.1017/S1431927614009350  0.626
2014 Holtz ME, Yu Y, Gunceler D, Gao J, Sundararaman R, Schwarz KA, Arias TA, Abruña HD, Muller DA. Nanoscale imaging of lithium ion distribution during in situ operation of a battery electrode and electrolyte Microscopy and Microanalysis. 20: 1524-1525. DOI: 10.1017/S1431927614009350  0.521
2014 Sundararaman R, Arias TA. Efficient classical density-functional theories of rigid-molecular fluids and a simplified free energy functional for liquid water Computer Physics Communications. 185: 818-825. DOI: 10.1016/J.Cpc.2013.11.013  0.657
2013 Sundararaman R, Arias TA. Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.165122  0.658
2013 Gunceler D, Letchworth-Weaver K, Sundararaman R, Schwarz KA, Arias TA. The importance of nonlinear fluid response in joint density-functional theory studies of battery systems Modelling and Simulation in Materials Science and Engineering. 21. DOI: 10.1088/0965-0393/21/7/074005  0.789
2012 Sundararaman R, Letchworth-Weaver K, Arias TA. A computationally efficacious free-energy functional for studies of inhomogeneous liquid water. The Journal of Chemical Physics. 137: 044107. PMID 22852597 DOI: 10.1063/1.4737392  0.771
2012 Letchworth-Weaver K, Arias TA. Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.075140  0.794
2012 Schwarz KA, Sundararaman R, Letchworth-Weaver K, Arias TA, Hennig RG. Framework for solvation in quantum Monte Carlo Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.201102  0.787
2011 Lischner J, Arias TA. Joint time-dependent density-functional theory for excited states of electronic systems in solution Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.125143  0.408
2010 Lischner J, Arias TA. Classical density-functional theory of inhomogeneous water including explicit molecular structure and nonlinear dielectric response. The Journal of Physical Chemistry. B. 114: 1946-53. PMID 20085242 DOI: 10.1021/Jp9012224  0.441
2009 Freedman DA, Roundy D, Arias TA. Elastic effects of vacancies in strontium titanate: Short- and long-range strain fields, elastic dipole tensors, and chemical strain Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.064108  0.548
2008 Lischner J, Arias TA. Kohn-Sham-like approach toward a classical density-functional theory of inhomogeneous polar molecular liquids: an application to liquid hydrogen chloride. Physical Review Letters. 101: 216401. PMID 19113431 DOI: 10.1103/Physrevlett.101.216401  0.444
2007 Petrosyan SA, Briere JF, Roundy D, Arias TA. Joint density-functional theory for electronic structure of solvated systems Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.205105  0.805
2005 Petrosyan SA, Rigos AA, Arias TA. Joint density-functional theory: ab initio study of Cr2O3 surface chemistry in solution. The Journal of Physical Chemistry. B. 109: 15436-44. PMID 16852958 DOI: 10.1021/Jp044822K  0.781
2005 Ustünel H, Roundy D, Arias TA. Modeling a suspended nanotube oscillator. Nano Letters. 5: 523-6. PMID 15755107 DOI: 10.1021/Nl0481371  0.707
2004 Sazonova V, Yaish Y, Ustünel H, Roundy D, Arias TA, McEuen PL. A tunable carbon nanotube electromechanical oscillator. Nature. 431: 284-7. PMID 15372026 DOI: 10.1038/Nature02905  0.707
2004 Park JY, Rosenblatt S, Yaish Y, Sazonova V, Üstunel H, Braig S, Arias TA, Brouwer PW, McEuen PL. Electron-phonon scattering in metallic single-walled carbon nanotubes Nano Letters. 4: 517-520. DOI: 10.1021/Nl035258C  0.709
2003 Daykov IP, Arias TA, Engeness TD. Robust ab initio calculation of condensed matter: transparent convergence through semicardinal multiresolution analysis. Physical Review Letters. 90: 216402. PMID 12786576 DOI: 10.1103/Physrevlett.90.216402  0.408
2003 Segall DE, Strachan A, Goddard WA, Ismail-Beigi S, Arias TA. Ab initio and finite-temperature molecular dynamics studies of lattice resistance in tantalum Physical Review B - Condensed Matter and Materials Physics. 68: 141041-1410411. DOI: 10.1103/Physrevb.68.014104  0.61
2003 Segall DE, Arias TA. Ab initio approach for high-pressure systems with application to high-pressure phases of boron: Perturbative momentum-space potentials Physical Review B - Condensed Matter and Materials Physics. 67: 641051-6410515. DOI: 10.1103/Physrevb.67.064105  0.372
2002 Segall DE, Ismail-Beigi S, Arias TA. Elasticity of nanometer-sized objects Physical Review B - Condensed Matter and Materials Physics. 65: 2141091-21410910. DOI: 10.1103/Physrevb.65.214109  0.633
2002 Engeness TD, Arias TA. Multiresolution analysis for efficient, high precision all-electron density-functional calculations Physical Review B - Condensed Matter and Materials Physics. 65: 1651061-16510610. DOI: 10.1103/Physrevb.65.165106  0.438
2002 Csányi G, Goedecker S, Arias TA. Improved tensor-product expansions for the two-particle density matrix Physical Review a - Atomic, Molecular, and Optical Physics. 65: 032510/1-032510/5. DOI: 10.1103/Physreva.65.032510  0.395
2002 Csányi G, Arias TA. Accurate hyperfine couplings for C59N Chemical Physics Letters. 360: 552-556. DOI: 10.1016/S0009-2614(02)00879-5  0.351
2000 Ismail-Beigi S, Arias TA. Ab initio study of screw dislocations in Mo and ta: A new picture of plasticity in bcc transition metals Physical Review Letters. 84: 1499-502. PMID 11017552 DOI: 10.1103/Physrevlett.84.1499  0.63
2000 Csányi G, Arias TA. Tensor product expansions for correlation in quantum many-body systems Physical Review B - Condensed Matter and Materials Physics. 61: 7348-7352. DOI: 10.1103/Physrevb.61.7348  0.373
2000 Csányi G, Engeness TD, Ismail-Beigi S, Arias TA. New physics of the 30° partial dislocation in silicon revealed through ab initio calculation Journal of Physics Condensed Matter. 12: 10029-10037. DOI: 10.1088/0953-8984/12/49/302  0.652
2000 Cline JA, Rigos AA, Arias TA. Ab initio study of magnetic structure and chemical reactivity of Cr2O3 and its (0001) surface Journal of Physical Chemistry B. 104: 6195-6201. DOI: 10.1021/Jp9943474  0.352
2000 Ismail-Beigi S, Arias TA. New algebraic formulation of density functional calculation Computer Physics Communications. 128: 1-45. DOI: 10.1016/S0010-4655(00)00072-2  0.636
1999 Arias TA. Multiresolution analysis of electronic structure: Semicardinal and wavelet bases Reviews of Modern Physics. 71: 267-311. DOI: 10.1103/Revmodphys.71.267  0.373
1999 Ismail-Beigi S, Arias TA. Locality of the Density Matrix in Metals, Semiconductors, and Insulators Physical Review Letters. 82: 2127-2130. DOI: 10.1103/Physrevlett.82.2127  0.604
1998 Yesilleten D, Nastar M, Arias T, Paxton A, Yip S. Stabilizing Role of Itinerant Ferromagnetism in Intergranular Cohesion in Iron Physical Review Letters. 81: 2998-3001. DOI: 10.1103/Physrevlett.81.2998  0.366
1998 Csányi G, Ismail-Beigi S, Arias TA. Paramagnetic structure of the soliton of the 30° partial dislocation in silicon Physical Review Letters. 80: 3984-3987. DOI: 10.1103/Physrevlett.80.3984  0.621
1998 Ismail-Beigi S, Arias T. Edge-driven transition in the surface structure of nanoscale silicon Physical Review B - Condensed Matter and Materials Physics. 57: 11923-11926. DOI: 10.1103/Physrevb.57.11923  0.62
1998 Tester JW, A. Marrone P, DiPippo MM, Sako K, Reagan MT, Arias T, Peters WA. Chemical reactions and phase equilibria of model halocarbons and salts in sub- and supercritical water (200-300 bar, 100-600°C) Journal of Supercritical Fluids. 13: 225-240. DOI: 10.1016/S0896-8446(98)00056-4  0.339
1997 Engeness TD, Arias TA. Multiscale approach to determination of thermal properties and changes in free energy: Application to reconstruction of dislocations in silicon Physical Review Letters. 79: 3006-3009. DOI: 10.1103/Physrevlett.79.3006  0.363
1994 Arias TA, Joannopoulos JD. Ab initio theory of dislocation interactions: From close-range spontaneous annihilation to the long-range continuum limit. Physical Review Letters. 73: 680-683. PMID 10057510 DOI: 10.1103/PhysRevLett.73.680  0.43
1994 Arias TA, Joannopoulos JD. Electron trapping and impurity segregation without defects: Ab initio study of perfectly rebonded grain boundaries. Physical Review. B, Condensed Matter. 49: 4525-4531. PMID 10011373 DOI: 10.1103/PhysRevB.49.4525  0.4
1994 Devenyi A, Cho K, Arias TA, Joannopoulos JD. Adaptive Riemannian metric for all-electron calculations. Physical Review. B, Condensed Matter. 49: 13373-13376. PMID 10010271 DOI: 10.1103/Physrevb.49.13373  0.586
1993 Cho K, Arias TA, Joannopoulos JD, Lam PK. Wavelets in electronic structure calculations. Physical Review Letters. 71: 1808-1811. PMID 10054505 DOI: 10.1103/Physrevlett.71.1808  0.627
1993 Wang J, Arias TA, Joannopoulos JD. Dimer vacancies and dimer-vacancy complexes on the Si(100) surface. Physical Review. B, Condensed Matter. 47: 10497-10508. PMID 10005162 DOI: 10.1103/Physrevb.47.10497  0.512
1993 Wang J, Arias TA, Joannopoulos JD, Turner GW, Alerhand OL. Scanning-tunneling-microscopy signatures and chemical identifications of the (110) surface of Si-doped GaAs. Physical Review. B, Condensed Matter. 47: 10326-10334. PMID 10005141 DOI: 10.1103/Physrevb.47.10326  0.499
1993 Pino AD, Galván M, Arias TA, Joannopoulos JD. Erratum: Chemical softness and impurity segregation at grain boundaries [J. Chem. Phys. 98, 1606 (1993)] Journal of Chemical Physics. 98: 10106-10106. DOI: 10.1063/1.465121  0.429
1993 Pino AD, Galván M, Arias TA, Joannopoulos JD. Chemical softness and impurity segregation at grain boundaries Journal of Chemical Physics. 98: 1606-1610. DOI: 10.1063/1.464277  0.461
1992 Arias TA, Payne MC, Joannopoulos JD. Ab initio molecular dynamics: Analytically continued energy functionals and insights into iterative solutions. Physical Review Letters. 69: 1077-1080. PMID 10047117 DOI: 10.1103/Physrevlett.69.1077  0.654
1992 Arias TA, Joannopoulos JD. Ab initio prediction of dopant segregation at elemental semiconductor grain boundaries without coordination defects. Physical Review Letters. 69: 3330-3333. PMID 10046791 DOI: 10.1103/PhysRevLett.69.3330  0.365
1992 Arias TA, Payne MC, Joannopoulos JD. Ab initio molecular-dynamics techniques extended to large-length-scale systems. Physical Review. B, Condensed Matter. 45: 1538-1549. PMID 10001651 DOI: 10.1103/PhysRevB.45.1538  0.555
1992 Wolfe R, Needels M, Arias T, Joannopoulos J. Visual revelations from silicon ab initio calculations Ieee Computer Graphics and Applications. 12: 45-53. DOI: 10.1109/38.144826  0.507
1992 Payne MC, Teter MP, Allan DC, Arias TA, Joannopoulos JD. Iterative minimization techniques for ab initio total-energy calculations: Molecular dynamics and conjugate gradients Reviews of Modern Physics. 64: 1045-1097. DOI: 10.1103/Revmodphys.64.1045  0.64
1990 Tarnow E, Arias T, Bristowe PD, Dallot P, Francis GP, Joannopoulos JD, Payne MC. The Relationship Between The Microscopic Properties Of Semiconducting Grain-Boundaries And Their Orientation Mrs Proceedings. 193. DOI: 10.1557/Proc-193-235  0.747
1989 Arias TA, Joannopoulos JD. Reexamination of magnetic effects in the Bose gas. Physical Review. B, Condensed Matter. 39: 4071-4078. PMID 9948740 DOI: 10.1103/Physrevb.39.4071  0.407
Show low-probability matches.