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New physical insights into the supporting subspace factorization of XMS-CASPT2 and generalization to multiple spin states via spin-free formulation

The Journal of chemical physics, 2024-03, Vol.160 (12)

Song, Chenchen

2024

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State averaged CASSCF in AMOEBA polarizable water model for simulating nonadiabatic molecular dynamics with nonequilibrium solvation effects

The Journal of chemical physics, 2023-01, Vol.158 (1), p.014101-014101

Song, Chenchen

2023

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State-averaged CASSCF with polarizable continuum model for studying photoreactions in solvents: Energies, analytical nuclear gradients, and non-adiabatic couplings

The Journal of chemical physics, 2022-03, Vol.156 (10), p.104102-104102

Song, Chenchen

2022

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Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction

The Journal of chemical physics, 2020-06, Vol.152 (23), p.234113-234113

2020

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Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction

The Journal of chemical physics, 2018-07, Vol.149 (4), p.044108-044108

2018

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Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction

The Journal of chemical physics, 2017-01, Vol.146 (3), p.034104-034104

2017

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Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method

The Journal of chemical physics, 2021-01, Vol.154 (1), p.014103-014103

2021

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Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units

The Journal of chemical physics, 2017-10, Vol.147 (16), p.161723-161723

2017

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Mechanical and Acoustic Emission Characteristics of Grouted Reinforcement in Fissure-Containing Rock-like Specimens

Applied sciences, 2023-11, Vol.13 (21), p.11661

2023

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Morphology-maintaining synthesis of copper hydroxy phosphate@metal–organic framework composite for extraction and determination of trace mercury in rice

Food chemistry, 2021-05, Vol.343, p.128508, Article 128508

2021

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Combining Cortical Voltage Imaging and Hippocampal Electrophysiology for Investigating Global, Multi-Timescale Activity Interactions in the Brain

International journal of molecular sciences, 2022-06, Vol.23 (12), p.6814

2022

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Cortical Correlates of Psychedelic-Induced Shaking Behavior Revealed by Voltage Imaging

International journal of molecular sciences, 2023-05, Vol.24 (11), p.9463

2023

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Microstructure and Wear Property of ZrO2-Added NiCrAlY Prepared by Ultrasonic-Assisted Direct Laser Deposition

Materials, 2021-10, Vol.14 (19), p.5785

2021

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DNA Methylation Profiles of GAD1 in Human Cerebral Organoids of Autism Indicate Disrupted Epigenetic Regulation during Early Development

International journal of molecular sciences, 2022-08, Vol.23 (16), p.9188

2022

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Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing units

The Journal of chemical physics, 2015-07, Vol.143 (1), p.014111-014111

2015

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Transgenic Strategies for Sparse but Strong Expression of Genetically Encoded Voltage and Calcium Indicators

International journal of molecular sciences, 2017-07, Vol.18 (7), p.1461

2017

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Laser-induced enhancement of vertical polarization in ferroelectric bilayer WTe2

Journal of physics. Condensed matter, 2022-10, Vol.34 (42)

2022

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Geometry optimization made simple with translation and rotation coordinates

The Journal of chemical physics, 2016-06, Vol.144 (21), p.214108-214108

2016

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Route to genetically targeted optical electrophysiology: development and applications of voltage-sensitive fluorescent proteins

Neurophotonics (Print), 2015-04, Vol.2 (2), p.021008-021008

2015

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A review of data-driven smart building-integrated photovoltaic systems: Challenges and objectives

Energy (Oxford), 2023-01, Vol.263, p.126082, Article 126082

2023

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Investigation on the heat transfer characteristics of flexible vacuum glass based on cross-laminated microcavities

Journal of vacuum science and technology. B, Nanotechnology & microelectronics, 2023-12, Vol.41 (6)

2023

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Multifunctionalized Covalent Organic Frameworks for Broad-Spectrum Extraction and Ultrasensitive Analysis of Per- and Polyfluoroalkyl Substances

Analytical chemistry (Washington), 2023-05, Vol.95 (19), p.7770-7778

2023

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Effect of precursor structure transformation on synthesis and performance of LiNi0.5Co0.2Mn0.3O2 cathode material

Solid state sciences, 2022-09, Vol.131, p.106954, Article 106954

2022

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Mechanism of grain refinement and mechanical property enhancement of Ti-45Al-8Nb alloy by directed laser deposition

Journal of alloys and compounds, 2023-04, Vol.939, p.168729, Article 168729

2023

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Sheathed in-situ room-temperature growth covalent organic framework solid-phase microextraction fiber for detecting ultratrace polybrominated diphenyl ethers from environmental samples

Analytica chimica acta, 2021-09, Vol.1176, p.338772-338772, Article 338772

2021

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New physical insights into the supporting subspace factorization of XMS-CASPT2 and generalization to multiple spin states via spin-free formulation

State averaged CASSCF in AMOEBA polarizable water model for simulating nonadiabatic molecular dynamics with nonequilibrium solvation effects

State-averaged CASSCF with polarizable continuum model for studying photoreactions in solvents: Energies, analytical nuclear gradients, and non-adiabatic couplings

Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction

Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction

Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction

Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method

Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units

Mechanical and Acoustic Emission Characteristics of Grouted Reinforcement in Fissure-Containing Rock-like Specimens

Morphology-maintaining synthesis of copper hydroxy phosphate@metal–organic framework composite for extraction and determination of trace mercury in rice

Combining Cortical Voltage Imaging and Hippocampal Electrophysiology for Investigating Global, Multi-Timescale Activity Interactions in the Brain

Cortical Correlates of Psychedelic-Induced Shaking Behavior Revealed by Voltage Imaging

Microstructure and Wear Property of ZrO2-Added NiCrAlY Prepared by Ultrasonic-Assisted Direct Laser Deposition

DNA Methylation Profiles of GAD1 in Human Cerebral Organoids of Autism Indicate Disrupted Epigenetic Regulation during Early Development

Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing units

Transgenic Strategies for Sparse but Strong Expression of Genetically Encoded Voltage and Calcium Indicators

Laser-induced enhancement of vertical polarization in ferroelectric bilayer WTe2

Geometry optimization made simple with translation and rotation coordinates

Route to genetically targeted optical electrophysiology: development and applications of voltage-sensitive fluorescent proteins

A review of data-driven smart building-integrated photovoltaic systems: Challenges and objectives

Investigation on the heat transfer characteristics of flexible vacuum glass based on cross-laminated microcavities

Multifunctionalized Covalent Organic Frameworks for Broad-Spectrum Extraction and Ultrasensitive Analysis of Per- and Polyfluoroalkyl Substances

Effect of precursor structure transformation on synthesis and performance of LiNi0.5Co0.2Mn0.3O2 cathode material

Mechanism of grain refinement and mechanical property enhancement of Ti-45Al-8Nb alloy by directed laser deposition

Sheathed in-situ room-temperature growth covalent organic framework solid-phase microextraction fiber for detecting ultratrace polybrominated diphenyl ethers from environmental samples

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