output
20142025
most citedShort-range order and its impacts on the BCC NbMoTaW multi-principal element alloy by the machine-learning potential

55 citations

7 papers

cond-mat.mes-hall2025★ 1 cited

Electronic and Thermoelectric Properties of Molecular Junctions Incorporating Organometallic Complexes: Implications for Thermoelectric Energy Conversion

Joseane Santos Almeida, Sergio González Casal, Hassan Al Sabea +15

The electronic and thermoelectric properties of molecular junctions formed from iron and ruthenium metal-acetylide were studied using complementary experimental techniques and quan…

cs.CL2024★ 12 cited

Learning to Describe for Predicting Zero-shot Drug-Drug Interactions

Fangqi Zhu, Yongqi Zhang, Lei Chen +2

Adverse drug-drug interactions~(DDIs) can compromise the effectiveness of concurrent drug administration, posing a significant challenge in healthcare. As the development of new dr…

hep-ph2022

Richness out of smallness: a Possible Staged Blueprint on Future Colliders

Meng Lu, Qiang Li, Zhengyun You +1

Novel collision methods and rich phenomena are crucial to keeping high-energy collision physics more robust and attractive. In this document, we present a staged blueprint for futu…

cond-mat.mtrl-sci2022★ 55 cited

Short-range order and its impacts on the BCC NbMoTaW multi-principal element alloy by the machine-learning potential

Pedro A. Santos-Florez, Shi-Cheng Dai, Yi Yao +5

We employ a machine-learning force field, trained by a neural network (NN) with bispectrum coefficients as descriptors, to investigate the short-range order (SRO) influences on the…

cond-mat.mes-hall2021★ 24 cited

Conductance Switching of Azobenzene-Based Self-Assembled Monolayers on Cobalt Probed by UHV Conductive-AFM

Louis Thomas, Imane Arbouch, David Guérin +6

We report the formation of self-assembled monolayers of a molecular photoswitch (azobenzene-bithiophene derivative, AzBT) on cobalt via a thiol covalent bond. We study the electric…

cond-mat.mes-hall2021★ 19 cited

Thermal conductivity of benzothieno-benzothiophene derivatives at the nanoscale

Magatte N. Gueye, Alexandre Vercouter, Rémy Jouclas +9

We study by scanning thermal microscopy the nanoscale thermal conductance of films (40 to 400 nm thick) of [1]benzothieno[3,2-b][1]benzothiophene (BTBT) and 2,7-dioctyl[1]benzothie…