Tomas A. Arias
Professor
Physics (LASSP) · CAS
Rising Papers (1)
2025-02-07 · Nature Catalysis · Renewable Energy, Sustainability and the Environment
Multimodal in situ X-ray mechanistic studies of a bimetallic oxide electrocatalyst in alkaline media
Yao YangProf Asst, Chemistry and Chemical Biology · CAS
Andrej SingerProf Assoc, Materials Science & Engr DEPT · EN
16 citations · 6.0x expected for field
Recent Papers (50)
2026-03-14 · arXiv (Cornell University) · Materials Chemistry
Vacuum Wannier Functions for First-Principles Scattering and Photoemission
2026-02-25 · Superconductor Science and Technology · Aerospace Engineering
A computational picture of hydride formation and dissipation In Nb SRF cavities
Matthias LiepeProfessor, Physics · CAS
2026-02-12 · Journal of Applied Physics · Biomedical Engineering
Enhanced quantum efficiency from optical interference in alkali antimonide photocathodes: Modeling and experimental results
2025-11-14 · Physical Review Letters
Unmasking Charge Transfer in the Misfits: ARPES and Ab Initio Prediction of Electronic Structure in Layered Incommensurate Systems without Artificial Strain
2025-11-01
Low barrier ZrO x -based Josephson junctions
David A. MullerProfessor, Applied & Engineering Physics DEPT · EN
Gregory D. FuchsProfessor, Applied & Engineering Physics DEPT · EN
2023-06-02
A fully ab initio approach to inelastic atom-surface scattering
2023-05-31
Atomically smooth films of CsSb: a chemically robust visible light photocathode
Melissa A. HinesProfessor, Chemistry and Chemical Biology · CAS
2022-05-28
Ab initio study of the crystal and electronic structure of mono- and bi-alkali antimonides: Stability, Goldschmidt-like tolerance factors, and optical properties
2022-03-18
Single-Crystal Alkali Antimonide Photocathodes: High Efficiency in the Ultrathin Limit
Melissa A. HinesProfessor, Chemistry and Chemical Biology · CAS
Jared MaxsonProf Assoc, Physics · CAS
2021-09-17
Importance of bulk excitations and coherent electron-photon-phonon scattering in photoemission from PbTe(111): Ab initio theory with experimental comparisons
2021-03-04
Effect of the density of states at the Fermi level on defect free energies and superconductivity: A case study of Nb3Sn
Matthias LiepeProfessor, Physics · CAS
2021-01-19
Analysis of magnetic vortex dissipation in Sn-segregated boundaries in Nb3Sn superconducting RF cavities
2020-11-09
Ab initio theory of the impact of grain boundaries and substitutional defects on superconducting Nb 3 Sn
2020-07-30
Ultracold Electrons via Near-Threshold Photoemission from Single-Crystal Cu(100)
Jared MaxsonProf Assoc, Physics · CAS
2020-06-21
Ab initio many-body photoemission theory of transverse energy distribution of photoelectrons: PbTe(111) as a case study with experimental comparisons
2020-03-11
Ab Initio Mismatched Interface Theory of Graphene on α−RuCl3: Doping and Magnetism
2017-07-27
SRF Theory Developments from the Center for Bright Beams
2017-03-16
Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry
2015-02-03
Spicing up continuum solvation models with SaLSA: The spherically averaged liquid susceptibility ansatz
2014-10-03
Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models
2014-04-10
A recipe for free-energy functionals of polarizable molecular fluids
2014-02-26
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
2014-02-18
Nanoscale Imaging of Lithium Ion Distribution During In Situ Operation of Battery Electrode and Electrolyte
Tomás A. AriasProfessor, Physics (LASSP) · CAS
David A. MullerProfessor, Applied & Engineering Physics DEPT · EN
2013-11-25
Efficient classical density-functional theories of rigid-molecular fluids and a simplified free energy functional for liquid water
2013-10-01
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
2013-04-17
Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems
2012-08-22
Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge
2012-07-24
A computationally efficacious free-energy functional for studies of inhomogeneous liquid water
2012-05-08
Framework for solvation in quantum Monte Carlo
2011-09-30
Joint time-dependent density-functional theory for excited states of electronic systems in solution
2010-11-23
Structural phase transitions in Ruddlesden-Popper phases of strontium titanate:Ab initioand modulated Ginzburg-Landau approaches
2010-06-30
Material limitations of carbon-nanotube inertial balances: Possibility of intrinsic yoctogram mass resolution at room temperature
2010-01-19
Classical Density-Functional Theory of Inhomogeneous Water Including Explicit Molecular Structure and Nonlinear Dielectric Response
2007-05-08
Joint density-functional theory for electronic structure of solvated systems
2005-07-26
Joint Density-Functional Theory: Ab Initio Study of Cr2O3 Surface Chemistry in Solution
2005-02-05
Modeling a Suspended Nanotube Oscillator
2005-01-19
Ab InitioMechanical Response: Internal Friction and Structure of Divacancies in Silicon
2004-09-01
A tunable carbon nanotube electromechanical oscillator
2004-02-18
Electron−Phonon Scattering in Metallic Single-Walled Carbon Nanotubes
2003-07-10
Ab initioand finite-temperature molecular dynamics studies of lattice resistance in tantalum
2003-05-29
RobustAb InitioCalculation of Condensed Matter: Transparent Convergence through Semicardinal Multiresolution Analysis
2003-02-24
Ab initioapproach for high-pressure systems with application to high-pressure phases of boron: Perturbative momentum-space potentials
2002-07-01
Accurate hyperfine couplings for C59N
2002-06-10
Elasticity of nanometer-sized objects
2002-04-04
Multiresolution analysis for efficient, high precision all-electron density-functional calculations
2002-02-20
Improved tensor-product expansions for the two-particle density matrix
2001-05-01
Accurate calculations of the Peierls stress in small periodic cells
2000-11-21
New physics of the 30° partial dislocation in silicon revealed throughab initiocalculation
2000-06-01
New algebraic formulation of density functional calculation
2000-02-14
Ab InitioStudy of Screw Dislocations in Mo and Ta: A New Picture of Plasticity in bcc Transition Metals