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19942026
most citedNew Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides

1.8k citations

Showing 2022Show all

35 papers · 1 filter

cs.LG2022★ 19 cited

Plug & Play Directed Evolution of Proteins with Gradient-based Discrete MCMC

Patrick Emami, Aidan Perreault, Jeffrey Law +2

A long-standing goal of machine-learning-based protein engineering is to accelerate the discovery of novel mutations that improve the function of a known protein. We introduce a sa…

cs.SE2022★ 3 cited

Giving RSEs a Larger Stage through the Better Scientific Software Fellowship

William F. Godoy, Ritu Arora, Keith Beattie +11

The Better Scientific Software Fellowship (BSSwF) was launched in 2018 to foster and promote practices, processes, and tools to improve developer productivity and software sustaina…

physics.app-ph2022★ 53 cited

Thermochromic Metal Halide Perovskite Windows with Ideal Transition Temperatures

Bryan A. Rosales, Janghyun Kim, Vincent M. Wheeler +8

Urban centers across the globe are responsible for a significant fraction of energy consumption and CO2 emission. As urban centers continue to grow, the popularity of glass as clad…

cond-mat.mes-hall2022★ 3 cited

All-carbon nanotube solar cell devices mimic photosynthesis

Gideon Oyibo, Thomas Barrett, Sharadh Jois +2

Photovoltaics has two main processes: Optical absorption and power conversion. In photosynthesis, the two equivalent processes are optical absorption and chemical conversion. Where…

physics.app-ph2022★ 53 cited

Leveraging Low-Energy Structural Thermodynamics in Halide Perovskites

Bryan A. Rosales, Kelly Schutt, Joseph J. Berry +1

Metal halide perovskites (MHPs) combine extraordinary optoelectronic properties with chemical and mechanical properties not found in their semiconductor counterparts. For instance,…

cond-mat.mtrl-sci2022★ 4 cited

Investigating the Electronic Structure of Prospective Water-splitting Oxide BaCeMnO Before and After Thermal Reduction

Subhayan Roychoudhury, Sarah Shulda, Anuj Goyal +8

BaCeMnO (BCM), a non-stoichiometric oxide closely resembling a perovskite crystal structure, has recently emerged as a prospective contender for applicati…

eess.SY2022★ 21 cited

Parameterized Linear Power Flow for High Fidelity Voltage Solutions in Distribution Systems

Marija Marković, Bri-Mathias Hodge

This paper introduces a new model for highly accurate distribution voltage solutions, coined as a parameterized linear power flow model. The proffered model is grounded on a physic…

math.OC2022★ 6 cited

Frequency shaping control for weakly-coupled grid-forming IBRs

Bala Kameshwar Poolla, Yashen Lin, Andrey Bernstein +2

We consider the problem of controlling the frequency of low-inertia power systems via inverter-based resources (IBRs) that are weakly connected to the grid. We propose a novel grid…

eess.SY2022★ 30 cited

Learning Provably Stable Local Volt/Var Controllers for Efficient Network Operation

Zhenyi Yuan, Guido Cavraro, Manish K. Singh +1

This paper develops a data-driven framework to synthesize local Volt/Var control strategies for distributed energy resources (DERs) in power distribution networks (DNs). Aiming to…

cs.GR2022★ 9 cited

Separable Shape Tensors for Aerodynamic Design

Zachary Grey, Olga Doronina, Andrew Glaws

Airfoil shape design is a classical problem in engineering and manufacturing. In this work, we combine principled physics-based considerations for the shape design problem with mod…

eess.SY2022★ 4 cited

Dynamic State Estimation for Load Bus Protection on Inverter-Interfaced Microgrids

Arthur K. Barnes, Adam Mate, Jean Marie V. Bikorimana +1

Inverter-interfaced microgrids results in challenges when designing protection systems. Traditional time-overcurrent, admittance, and differential protection methods are unsuitable…

cond-mat.mes-hall2022★ 20 cited

Optical readout of singlet fission biexcitons with photoluminescence detected magnetic resonance

Gajadhar Joshi, Ryan D. Dill, Karl J. Thorley +3

Molecular spin systems based on photoexcited triplet pairs formed via singlet fission (SF) are attractive as carriers of quantum information because of their potentially pure and c…

cond-mat.mtrl-sci2022★ 17 cited

Direct link between disorder, mobility and magnetoresistance in topological semimetals

Jocienne N. Nelson, Anthony D. Rice, Chase Brooks +7

The extent to which disorder influences the properties of topological semimetals remains an open question and is relevant to both the understanding of topological states and the us…

cond-mat.mtrl-sci2022★ 2 cited

Composition dependent electrochemical properties of earth-abundant ternary nitride anodes

M Brooks Tellekamp, Anna Osella, Karen N Heinselman +2

Growing energy storage demands on lithium-ion batteries necessitate exploration of new electrochemical materials as next-generation battery electrode materials. In this work, we in…

cond-mat.mtrl-sci2022★ 17 cited

Combinatorial synthesis of cation-disordered manganese tin nitride MnSnN thin films with magnetic and semiconducting properties

Christopher L. Rom, Rebecca W. Smaha, Celeste L. Melamed +11

Magnetic semiconductors may soon improve the energy efficiency of computers, but materials exhibiting these dual properties remain underexplored. Here, we report the computational…

eess.SY2022★ 58 cited

DLMP of Competitive Markets in Active Distribution Networks: Models, Solutions, Applications, and Visions

Xiaofei Wang, Fangxing Li, Linquan Bai +1

Traditionally, the electric distribution system operates with uniform energy prices across all system nodes. However, as the adoption of distributed energy resources (DERs) propels…

eess.SY2022★ 2 cited

A mode-in-state contribution factor based on Koopman operator and its application to power system analysis

Kenji Takamichi, Yoshihiko Susuki, Marcos Netto +1

This paper proposes a mode-in-state contribution factor for a class of nonlinear dynamical systems by utilizing spectral properties of the Koopman operator and sensitivity analysis…

eess.SY2022

Active power control of wind farms: an instantaneous approach on waked conditions

Jean Gonzalez Silva, Bart Matthijs Doekemeijer, Riccardo Ferrari +1

This paper presents a closed-loop controller for wind farms to provide active power control services using a high-fidelity computational fluid dynamics based wind plant simulator.…

cond-mat.mtrl-sci2022★ 41 cited

A Landau-Devonshire Analysis of Strain Effects on Ferroelectric Al1-xScxN

Keisuke Yazawa, Andriy Zakutayev, Geoff L. Brennecka

We present a thermodynamic analysis of the recently discovered nitride ferroelectric materials using the classic Landau-Devonshire approach. The electrostrictive and dielectric sti…

physics.app-ph2022★ 141 cited

Overcoming the disconnect between energy system and climate modeling

Michael T. Craig, Jan Wohland, Laurens P. Stoop +20

Energy system models underpin decisions by energy system planners and operators. Energy system modelling faces a transformation: accounting for changing meteorological conditions i…

cond-mat.mtrl-sci2022

Ternary Wide Band Gap Oxides for High-Power Electronics Identified Computationally

Emily McDonald Garrity, Cheng-Wei Lee, Prashun Gorai +3

As electricity grids become more renewable energy-compliant, there will be a need for novel semiconductors that can withstand high power, high voltage, and high temperatures. Wide…

cond-mat.str-el2022★ 27 cited

A Theory for Colors of Strongly Correlated Electronic Systems

Swagata Acharya, Cedric Weber, Dimitar Pashov +3

Many strongly correlated transition metal insulators are colored, even though they have large fundamental band gaps and no quasi-particle excitations in the visible range. Why such…

cond-mat.mtrl-sci2022★ 35 cited

Sensitivity of the MnTe valence band to orientation of magnetic moments

Paulo E. Faria Junior, Koen A. de Mare, Klaus Zollner +3

An effective model of the hexagonal (NiAs-structure) manganese telluride valence band in the vicinity of the A-point of the Brillouin zone is derived. It is shown that while for th…

physics.chem-ph2022★ 38 cited

Triplet-Pair Spin Signatures from Macroscopically Aligned Heteroacenes in an Oriented Single Crystal

Brandon K. Rugg, Kori E. Smyser, Brian Fluegel +6

The photo-driven process of singlet fission generates coupled triplet pairs (TT) with fundamentally intriguing and potentially useful properties. The quintet 5TT0 sublevel is parti…