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Modeling Thermal Interactions between Buildings in an Urban Context

Energies (Basel), 2020-05, Vol.13 (9), p.2382

2020

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An atomistic fingerprint algorithm for learning ab initio molecular force fields

The Journal of chemical physics, 2018-01, Vol.148 (3), p.034101-034101

2018

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Prediction of atomization energy using graph kernel and active learning

The Journal of chemical physics, 2019-01, Vol.150 (4), p.044107-044107

2019

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Accelerating dissipative particle dynamics simulations on GPUs: Algorithms, numerics and applications

Computer physics communications, 2014-11, Vol.185 (11), p.2809-2822

2014

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Graphical Gaussian process regression model for aqueous solvation free energy prediction of organic molecules in redox flow batteries

Physical chemistry chemical physics : PCCP, 2021-11, Vol.23 (43), p.24892-2494

2021

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Mesoscale modeling of phase transition dynamics of thermoresponsive polymers

Chemical communications (Cambridge, England), 2015-07, Vol.51 (55), p.11038-11040

2015

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Learning stochastic dynamics with statistics-informed neural network

Journal of computational physics, 2023-02, Vol.474, p.111819, Article 111819

2023

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A dissipative particle dynamics method for arbitrarily complex geometries

Journal of computational physics, 2018-02, Vol.355 (C), p.534-547

2018

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Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers

Journal of computational physics, 2015-09, Vol.297 (C), p.13-31

2015

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Interpretable Molecular Property Predictions Using Marginalized Graph Kernels

Journal of chemical information and modeling, 2023-08, Vol.63 (15), p.4633-4640

2023

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Predicting Single-Substance Phase Diagrams: A Kernel Approach on Graph Representations of Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-05, Vol.125 (20), p.4488-4497

2021

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A Comparative Study of Marginalized Graph Kernel and Message-Passing Neural Network

Journal of chemical information and modeling, 2021-11, Vol.61 (11), p.5414-5424

2021

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OpenRBC: A Fast Simulator of Red Blood Cells at Protein Resolution

Biophysical journal, 2017-05, Vol.112 (10), p.2030-2037

2017

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Energy-conserving dissipative particle dynamics with temperature-dependent properties

Journal of computational physics, 2014-05, Vol.265, p.113-127

2014

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Efficient Exploration of Chemical Compound Space Using Active Learning for Prediction of Thermodynamic Properties of Alkane Molecules

Journal of chemical information and modeling, 2023-11, Vol.63 (21), p.6515-6524

2023

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A GPU-accelerated package for simulation of flow in nanoporous source rocks with many-body dissipative particle dynamics

Computer physics communications, 2020-02, Vol.247 (C), p.106874, Article 106874

2020

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Non-Equilibrium Dynamics of Vesicles and Micelles by Self-Assembly of Block Copolymers with Double Thermoresponsivity

Macromolecules, 2016-04, Vol.49 (7), p.2895-2903

2016

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GPU-accelerated red blood cells simulations with transport dissipative particle dynamics

Computer physics communications, 2017-08, Vol.217 (C), p.171-179

2017

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Large-scale dissipative particle dynamics simulations of self-assembled amphiphilic systems

Chemical communications (Cambridge, England), 2014-08, Vol.50 (61), p.8306-8308

2014

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Identifying micro-inversions using high-throughput sequencing reads

BMC genomics, 2016-01, Vol.17 Suppl 1 (7), p.4-4, Article 4

2016

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Patient-specific blood rheology in sickle-cell anaemia

Interface focus, 2016-02, Vol.6 (1), p.20150065-20150065

2016

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LFHP-1c improves cognitive function after TBI in mice by reducing oxidative stress through the PGAM5-NRF2-KEAP1 ternary complex

Heliyon, 2024-09, Vol.10 (17), p.e36820, Article e36820

2024

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Analysis of hydrodynamic fluctuations in heterogeneous adjacent multidomains in shear flow

Physical review. E, 2016-03, Vol.93 (3), p.033312-033312, Article 033312

2016

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Electrochemical Detector Based on Nafion Membrane for Online Monitoring of Column Chromatography Purification Process

Chinese Journal of Analytical Chemistry, 2012-05, Vol.40 (5), p.675-680

2012

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The in-silico lab-on-a-chip: petascale and high-throughput simulations of microfluidics at cell resolution

Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, 2015, p.1-12

2015

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Modeling Thermal Interactions between Buildings in an Urban Context

An atomistic fingerprint algorithm for learning ab initio molecular force fields

Prediction of atomization energy using graph kernel and active learning

Accelerating dissipative particle dynamics simulations on GPUs: Algorithms, numerics and applications

Graphical Gaussian process regression model for aqueous solvation free energy prediction of organic molecules in redox flow batteries

Mesoscale modeling of phase transition dynamics of thermoresponsive polymers

Learning stochastic dynamics with statistics-informed neural network

A dissipative particle dynamics method for arbitrarily complex geometries

Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers

Interpretable Molecular Property Predictions Using Marginalized Graph Kernels

Predicting Single-Substance Phase Diagrams: A Kernel Approach on Graph Representations of Molecules

A Comparative Study of Marginalized Graph Kernel and Message-Passing Neural Network

OpenRBC: A Fast Simulator of Red Blood Cells at Protein Resolution

Energy-conserving dissipative particle dynamics with temperature-dependent properties

Efficient Exploration of Chemical Compound Space Using Active Learning for Prediction of Thermodynamic Properties of Alkane Molecules

A GPU-accelerated package for simulation of flow in nanoporous source rocks with many-body dissipative particle dynamics

Non-Equilibrium Dynamics of Vesicles and Micelles by Self-Assembly of Block Copolymers with Double Thermoresponsivity

GPU-accelerated red blood cells simulations with transport dissipative particle dynamics

Large-scale dissipative particle dynamics simulations of self-assembled amphiphilic systems

Identifying micro-inversions using high-throughput sequencing reads

Patient-specific blood rheology in sickle-cell anaemia

LFHP-1c improves cognitive function after TBI in mice by reducing oxidative stress through the PGAM5-NRF2-KEAP1 ternary complex

Analysis of hydrodynamic fluctuations in heterogeneous adjacent multidomains in shear flow

Electrochemical Detector Based on Nafion Membrane for Online Monitoring of Column Chromatography Purification Process

The in-silico lab-on-a-chip: petascale and high-throughput simulations of microfluidics at cell resolution

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