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Low communication high performance ab initio density matrix renormalization group algorithms

The Journal of chemical physics, 2021-06, Vol.154 (22), p.224116-224116

2021

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A comparison between the one- and two-step spin–orbit coupling approaches based on the ab initio density matrix renormalization group

The Journal of chemical physics, 2022-10, Vol.157 (16), p.164108-164108

2022

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Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt7 on Al2O3

The journal of physical chemistry letters, 2018-04, Vol.9 (7), p.1696-1702

2018

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The Chromium Dimer: Closing a Chapter of Quantum Chemistry

Journal of the American Chemical Society, 2022-09, Vol.144 (35), p.15932-15937

2022

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Benchmarking the exponential ansatz for the Holstein model

The Journal of chemical physics, 2024-09, Vol.161 (10)

2024

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Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry

Nature communications, 2023-04, Vol.14 (1), p.1952-1952, Article 1952

2023

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Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond

The Journal of chemical physics, 2023-12, Vol.159 (23)

2023

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Conservation laws in coupled cluster dynamics at finite temperature

The Journal of chemical physics, 2021-07, Vol.155 (4), p.044103-044103

2021

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Assessment of DFT functionals for a minimal nitrogenase [Fe(SH)4H]− model employing state-of-the-art ab initio methods

The Journal of chemical physics, 2023-07, Vol.159 (4)

2023

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AFFCK: Adaptive Force-Field-Assisted ab Initio Coalescence Kick Method for Global Minimum Search

Journal of chemical theory and computation, 2015-05, Vol.11 (5), p.2385-2393

2015

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Effects of hexanal fumigation on fungal spoilage and grain quality of stored wheat

Grain & oil science and technology (Online), 2021-03, Vol.4 (1), p.10-17

2021

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Simulating Models of Challenging Correlated Molecules and Materials on the Sycamore Quantum Processor

PRX quantum, 2022-11, Vol.3 (4), p.040318, Article 040318

2022

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Insights into the Underlying Mechanism of Ochratoxin A Production in Aspergillus niger CBS 513.88 Using Different Carbon Sources

Toxins, 2022-08, Vol.14 (8), p.551

2022

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Identification of Chromosome Segment Substitution Lines of Gossypium barbadense Introgressed in G. hirsutum and Quantitative Trait Locus Mapping for Fiber Quality and Yield Traits

PloS one, 2016-09, Vol.11 (9), p.e0159101-e0159101

2016

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A conserved homeobox transcription factor Htf1 is required for phialide development and conidiogenesis in Fusarium species

PloS one, 2012-09, Vol.7 (9), p.e45432-e45432

2012

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Functional Characterization of Aldehyde Dehydrogenase in Fusarium graminearum

Microorganisms (Basel), 2023-11, Vol.11 (12), p.2875

2023

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FgUbiH Is Essential for Vegetative Development, Energy Metabolism, and Antioxidant Activity in Fusarium graminearum

Microorganisms (Basel), 2024-10, Vol.12 (10), p.2093

2024

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Genome comparison of two Magnaporthe oryzae field isolates reveals genome variations and potential virulence effectors

BMC genomics, 2013-12, Vol.14 (1), p.887-887, Article 887

2013

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Fluxionality of Catalytic Clusters: When It Matters and How to Address It

ACS catalysis, 2017-03, Vol.7 (3), p.1905-1911

2017

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Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization

Journal of chemical theory and computation, 2016-12, Vol.12 (12), p.6213-6226

2016

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Correction to “Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt7 on Al2O3”

The journal of physical chemistry letters, 2018-10, Vol.9 (20), p.6011-6011

2018

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Mechanisms of methyl 2-methylbutyrate suppression on Aspergillus flavus growth and aflatoxin B1 biosynthesis

International journal of food microbiology, 2024-01, Vol.409, p.110462-110462, Article 110462

2024

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AnAzf1 acts as a positive regulator of ochratoxin A biosynthesis in Aspergillus niger

Applied microbiology and biotechnology, 2023-04, Vol.107 (7-8), p.2501-2514

2023

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Afper1 contributes to cell development and aflatoxin biosynthesis in Aspergillus flavus

International journal of food microbiology, 2022-09, Vol.377, p.109828-109828, Article 109828

2022

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Unraveling the antifungal and anti-aflatoxin B1 mechanisms of piperitone on Aspergillus flavus

Food microbiology, 2024-10, Vol.123, p.104588, Article 104588

2024

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Low communication high performance ab initio density matrix renormalization group algorithms

A comparison between the one- and two-step spin–orbit coupling approaches based on the ab initio density matrix renormalization group

Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt7 on Al2O3

The Chromium Dimer: Closing a Chapter of Quantum Chemistry

Benchmarking the exponential ansatz for the Holstein model

Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry

Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond

Conservation laws in coupled cluster dynamics at finite temperature

Assessment of DFT functionals for a minimal nitrogenase [Fe(SH)4H]− model employing state-of-the-art ab initio methods

AFFCK: Adaptive Force-Field-Assisted ab Initio Coalescence Kick Method for Global Minimum Search

Effects of hexanal fumigation on fungal spoilage and grain quality of stored wheat

Simulating Models of Challenging Correlated Molecules and Materials on the Sycamore Quantum Processor

Insights into the Underlying Mechanism of Ochratoxin A Production in Aspergillus niger CBS 513.88 Using Different Carbon Sources

Identification of Chromosome Segment Substitution Lines of Gossypium barbadense Introgressed in G. hirsutum and Quantitative Trait Locus Mapping for Fiber Quality and Yield Traits

A conserved homeobox transcription factor Htf1 is required for phialide development and conidiogenesis in Fusarium species

Functional Characterization of Aldehyde Dehydrogenase in Fusarium graminearum

FgUbiH Is Essential for Vegetative Development, Energy Metabolism, and Antioxidant Activity in Fusarium graminearum

Genome comparison of two Magnaporthe oryzae field isolates reveals genome variations and potential virulence effectors

Fluxionality of Catalytic Clusters: When It Matters and How to Address It

Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization

Correction to “Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt7 on Al2O3”

Mechanisms of methyl 2-methylbutyrate suppression on Aspergillus flavus growth and aflatoxin B1 biosynthesis

AnAzf1 acts as a positive regulator of ochratoxin A biosynthesis in Aspergillus niger

Afper1 contributes to cell development and aflatoxin biosynthesis in Aspergillus flavus

Unraveling the antifungal and anti-aflatoxin B1 mechanisms of piperitone on Aspergillus flavus

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