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Inference and analysis of cell-cell communication using CellChat

Nature communications, 2021-02, Vol.12 (1), p.1088-20, Article 1088

2021

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Anatomical, Physiological, and Functional Diversity of Adipose Tissue

Cell metabolism, 2018-01, Vol.27 (1), p.68-83

2018

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Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TM n systems for n = 2-15): a density functional theory investigation

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (23), p.15484-15502

2017

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Single-cell analysis reveals fibroblast heterogeneity and myeloid-derived adipocyte progenitors in murine skin wounds

Nature communications, 2019-02, Vol.10 (1), p.650-650, Article 650

2019

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Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization

Nature communications, 2021-01, Vol.12 (1), p.629-629, Article 629

2021

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Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-11, Vol.124 (47), p.9854-9866

2020

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Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskites

Physical chemistry chemical physics : PCCP, 2024-05, Vol.26 (23), p.16719-16731

2024

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Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (34), p.2294-232

2022

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The influence of hydroxy groups on the adsorption of three-carbon alcohols on Ni(111), Pd(111) and Pt(111) surfaces: a density functional theory study within the D3 dispersion correction

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (16), p.8434-8444

2019

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On a high photocatalytic activity of high-noble alloys Au–Ag/TiO2 catalysts during oxygen evolution reaction of water oxidation

Scientific reports, 2022-02, Vol.12 (1), p.2604-13, Article 2604

2022

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SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning

Journal of chemical information and modeling, 2022-09, Vol.62 (17), p.3948-3960

2022

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Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (14), p.8739-8751

2021

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Single cell transcriptomics of human epidermis identifies basal stem cell transition states

Nature communications, 2020-08, Vol.11 (1), p.4239-4239, Article 4239

2020

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Revised Basin-Hopping Monte Carlo Algorithm for Structure Optimization of Clusters and Nanoparticles

Journal of chemical information and modeling, 2013-09, Vol.53 (9), p.2282-2298

2013

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Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study

The journal of physical chemistry. B, 2020-10, Vol.124 (43), p.9648-9657

2020

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Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder

Journal of chemical information and modeling, 2022-02, Vol.62 (4), p.817-828

2022

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Ab initio study for late steps of CO2 and CO electroreduction: from CHCO toward C2 products on Cu and CuZn nanoclusters

Physical chemistry chemical physics : PCCP, 2023-12, Vol.25 (48), p.32931-32938

2023

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Investigation of the Stability Mechanisms of Eight-Atom Binary Metal Clusters Using DFT Calculations and k‑means Clustering Algorithm

Journal of chemical information and modeling, 2021-07, Vol.61 (7), p.3411-3420

2021

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The role of the A-cations in the polymorphic stability and optoelectronic properties of lead-free ASnI3 perovskites

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (3), p.2286-2297

2021

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The Mackay‐Type Cluster [Cu43Al12](Cp)12: Open‐Shell 67‐Electron Superatom with Emerging Metal‐Like Electronic Structure

Angewandte Chemie International Edition, 2018-10, Vol.57 (44), p.14630-14634

International ed. in English, 2018

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Experimental and first-principles investigation on how support morphology determines the performance of the Ziegler-Natta catalyst during ethylene polymerization

Scientific reports, 2024-08, Vol.14 (1), p.17835-11, Article 17835

2024

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Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): Temperature effects and O-vacancy formation

The Journal of chemical physics, 2024-05, Vol.160 (18)

2024

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The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (6), p.4939-4949

2023

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Ab initio investigation of quantum size effects on the adsorption of CO2, CO, H2O, and H2 on transition-metal particles

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (16), p.8998-9008

2020

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Organ-Level Quorum Sensing Directs Regeneration in Hair Stem Cell Populations

Cell, 2015-04, Vol.161 (2), p.277-290

2015

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Inference and analysis of cell-cell communication using CellChat

Anatomical, Physiological, and Functional Diversity of Adipose Tissue

Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TM n systems for n = 2-15): a density functional theory investigation

Single-cell analysis reveals fibroblast heterogeneity and myeloid-derived adipocyte progenitors in murine skin wounds

Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization

Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset

Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskites

Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface

The influence of hydroxy groups on the adsorption of three-carbon alcohols on Ni(111), Pd(111) and Pt(111) surfaces: a density functional theory study within the D3 dispersion correction

On a high photocatalytic activity of high-noble alloys Au–Ag/TiO2 catalysts during oxygen evolution reaction of water oxidation

SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning

Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters

Single cell transcriptomics of human epidermis identifies basal stem cell transition states

Revised Basin-Hopping Monte Carlo Algorithm for Structure Optimization of Clusters and Nanoparticles

Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study

Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder

Ab initio study for late steps of CO2 and CO electroreduction: from CHCO toward C2 products on Cu and CuZn nanoclusters

Investigation of the Stability Mechanisms of Eight-Atom Binary Metal Clusters Using DFT Calculations and k‑means Clustering Algorithm

The role of the A-cations in the polymorphic stability and optoelectronic properties of lead-free ASnI3 perovskites

The Mackay‐Type Cluster [Cu43Al12](Cp)12: Open‐Shell 67‐Electron Superatom with Emerging Metal‐Like Electronic Structure

Experimental and first-principles investigation on how support morphology determines the performance of the Ziegler-Natta catalyst during ethylene polymerization

Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): Temperature effects and O-vacancy formation

The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces

Ab initio investigation of quantum size effects on the adsorption of CO2, CO, H2O, and H2 on transition-metal particles

Organ-Level Quorum Sensing Directs Regeneration in Hair Stem Cell Populations

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