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20102026
most citedRecent Advances and Applications of Deep Learning Methods in Materials Science

1.2k citations

Showing 2016Show all

12 papers · 1 filter

physics.chem-ph2016★ 116 cited

Evaluating continuum solvation models for the electrode-electrolyte interface: challenges and strategies for improvement

Ravishankar Sundararaman, Kathleen Schwarz

Ab initio modeling of electrochemical systems is becoming a key tool for understanding and predicting electrochemical behavior. Development and careful benchmarking of computationa…

cond-mat.mtrl-sci2016★ 54 cited

Enabling photoemission electron microscopy in liquids via graphene-capped microchannel arrays

Hongxuan Guo, Evgheni Strelcov, Alexander Yulaev +7

Photoelectron emission microscopy PEEM is a powerful tool to spectroscopically image dynamic surface processes at the nanoscale but is traditionally limited to ultra high or modera…

cond-mat.mtrl-sci2016★ 35 cited

Electric-field Induced Reversible Switching of the Magnetic Easy-axis in Co/BiFeO3/SrRuO3/SrTiO3 Heterostructures

T. R. Gao, X. H. Zhang, W. Ratcliff +8

Electric-field (E-field) control of magnetism enabled by multiferroics has the potential to revolutionize the landscape of present memory devices plagued with high energy dissipati…

cond-mat.mtrl-sci2016★ 90 cited

Benchmark Problems for Numerical Implementations of Phase Field Models

A. M. Jokisaari, P. W. Voorhees, J. E. Guyer +2

We present the first set of benchmark problems for phase field models that are being developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute o…

cond-mat.mtrl-sci2016★ 51 cited

High-throughput first principles search for new ferroelectrics

Kevin F. Garrity

We use a combination of symmetry analysis and high-throughput density functional theory calculations to search for new ferroelectric materials. We use two search strategies to iden…

physics.atom-ph2016★ 72 cited

Multiplexed sub-Doppler spectroscopy with an optical frequency comb

David A. Long, Adam J. Fleisher, David F. Plusquellic +1

An optical frequency comb generated with an electro-optic phase modulator and a chirped radiofrequency waveform is used to perform saturation and pump-probe spectroscopy on the $D_…

physics.optics2016★ 8 cited

The effect of input phase modulation to a phase-sensitive optical amplifier

Tian Li, Brian E. Anderson, Travis Horrom +2

Many optical applications depend on amplitude modulating optical beams using devices such as acousto-optical modulators (AOMs) or optical choppers. Methods to add amplitude modulat…

cond-mat.mtrl-sci2016★ 36 cited

Phonon Anharmonicity in Bulk -MoTe

Jaydeep Joshi, Iris Stone, Ryan Beams +4

We examine anharmonic contributions to the optical phonon modes in bulk -MoTe through temperature-dependent Raman spectroscopy. At temperatures ranging from 100 K to 200 K…

cond-mat.mtrl-sci2016★ 43 cited

Flux states and topological phases from spontaneous time-reversal symmetry breaking in CrSi(Ge)Te-based systems

Jianpeng Liu, Se Young Park, Kevin F. Garrity +1

We study adatom-covered single layers of CrSiTe and CrGeTe using first-principles calculations based on hybrid functionals. We find that the insulating ground state of a mo…

physics.chem-ph2016★ 47 cited

Partial oxidation of Step-Bound Water Leads to Anomalous pH Effects on Metal Electrode Step-Edges

Kathleen Schwarz, Bingjun Xu, Yushan Yan +1

The design of better heterogeneous catalysts for applications such as fuel cells and electrolyzers requires a mechanistic understanding of electrocatalytic reactions and the depend…

cond-mat.mtrl-sci2016★ 59 cited

Intertwined Rashba, Dirac and Weyl Fermions in Hexagonal Hyperferroelectrics

Domenico Di Sante, Paolo Barone, Alessandro Stroppa +3

By means of density functional theory based calculations, we study the role of spin-orbit coupling in the new family of ABC hyperferroelectrics [Phys. Rev. Lett. 112, 127601 (2014)…

cond-mat.mtrl-sci2016★ 45 cited

First principles search for -type oxide, nitride, and sulfide thermoelectrics

Kevin F. Garrity

Oxides have many potentially desirable characteristics for thermoelectric applications, including low cost and stability at high temperatures, but thus far there are few known high…