Mark S. Hybertsen

Brookhaven National Laboratory — United States

Engineering · Physical Sciences

79h-index32.7kcitations332works8.02yr avg
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Research Topics

Molecular Junctions and Nanostructures(82), Surface and Thin Film Phenomena(64), Semiconductor Quantum Structures and Devices(59), Semiconductor Lasers and Optical Devices(50), Semiconductor materials and devices(45)

Publications332 total

Resolving local structural motifs across the phase evolution of zinc titanates with computational x-ray absorption spectroscopy
Physical Review Materials·2025· 1 citedOpen Access
Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds
Physical Review Materials·2024· 15 citedOpen Access
Decoding structure-spectrum relationships with physically organized latent spaces
Physical Review Materials·2023· 13 citedOpen Access
Multi-code Benchmark on Simulated Ti K-edge X-ray Absorption Spectra of Ti-O Compounds
arXiv (Cornell University)·2023· 2 citedOpen Access
Uncertainty-aware predictions of molecular x-ray absorption spectra using neural network ensembles
Physical Review Research·2023· 22 citedOpen Access
Decoding Structure-Spectrum Relationships with Physically Organized Latent Spaces
arXiv (Cornell University)·2023Open Access
Deciphering phase evolution in complex metal oxide thin films via high-throughput materials synthesis and characterization
Nanotechnology·2022· 6 citedOpen Access
Uncertainty-aware predictions of molecular X-ray absorption spectra using neural network ensembles
arXiv (Cornell University)·2022Open Access
Formation and Evolution of Metallocene Single-Molecule Circuits with Direct Gold-π Links
Journal of the American Chemical Society·2022· 30 citedOpen Access
Data-driven approach to parameterize <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>SCAN</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:math> for an accurate description of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:mrow></mml:math> transition metal oxide thermochemistry
Physical Review Materials·2022· 17 citedOpen Access
Microscopic relaxation channels in materials for superconducting qubits
Communications Materials·2021· 29 citedOpen Access
Resolving the Evolution of Atomic Layer-Deposited Thin-Film Growth by Continuous <i>In Situ</i> X-Ray Absorption Spectroscopy
Chemistry of Materials·2021· 17 citedOpen Access
Data-driven Approach to Parameterize SCAN+U for an Accurate Description of 3d Transition Metal Oxide Thermochemistry
arXiv (Cornell University)·2021· 5 citedOpen Access
Hydrogen bonded trimesic acid networks on Cu(111) reveal how basic chemical properties are imprinted in HR-AFM images
Nanoscale·2021· 11 citedOpen Access
A Physical Model for Understanding the Activation of MoS<sub>2</sub> Basal‐Plane Sulfur Atoms for the Hydrogen Evolution Reaction
Angewandte Chemie·2020· 11 citedOpen Access
A Physical Model for Understanding the Activation of MoS <sub>2</sub> Basal‐Plane Sulfur Atoms for the Hydrogen Evolution Reaction
Angewandte Chemie International Edition·2020· 62 citedOpen Access
A Physical Model for Understanding the Activation of MoS2 Basalplane Sulfur Atoms for the Hydrogen Evolution Reaction
2020· 1 citedOpen Access
A Physical Model for Understanding the Activation of MoS2 Basalplane Sulfur Atoms for the Hydrogen Evolution Reaction
2020· 2 citedOpen Access
Correction to Ultrathin Amorphous Titania on Nanowires: Optimization of Conformal Growth and Elucidation of Atomic-Scale Motifs
Nano Letters·2020· 1 citedOpen Access
Probing Structural Reconstruction of Metal Nanoparticles under Annealing and Water Vapor Conditions: A Theoretical Study
The Journal of Physical Chemistry C·2019· 7 citedOpen Access
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Frequent Co-authors

Latha Venkataraman(16), Steven G. Louie(11), David R. Reichman(9), Colin Nuckolls(9), Michael L. Steigerwald(9), Timothy C. Berkelbach(7), Tony F. Heinz(7), Kwang Taeg Rim(5), George W. Flynn(5), Maria Kamenetska(5), Adam C. Whalley(5), Philip Kim(4), Abhay N. Pasupathy(4), Héctor Vázquez(4), Ronald Breslow(4), Alexey Chernikov(3), Jennifer E. Klare(3), Liuyan Zhao(3), Theanne Schiros(3), Christopher Gutiérrez(3)