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Semilocal Pauli–Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of Solids

The journal of physical chemistry letters, 2018-08, Vol.9 (15), p.4385-4390

2018

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“Darker-than-Black” PbS Quantum Dots: Enhancing Optical Absorption of Colloidal Semiconductor Nanocrystals via Short Conjugated Ligands

Journal of the American Chemical Society, 2015-02, Vol.137 (5), p.1875-1886

2015

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Dispersion corrections applied to the TCA family of exchange-correlation functionals

Theoretical chemistry accounts, 2017-08, Vol.136 (8), p.1-11, Article 88

2017

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Semiclassical atom theory applied to solid-state physics

Physical review. B, 2016-01, Vol.93 (4), Article 045126

2016

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Performance of Semilocal Kinetic Energy Functionals for Orbital-Free Density Functional Theory

Journal of chemical theory and computation, 2019-05, Vol.15 (5), p.3044-3055

2019

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Enhancing mechanical properties and wear resistance of heavy-haul rail systems through complex microstructure control

Journal of materials research and technology, 2023-11, Vol.27, p.1146-1159

2023

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Photoinduced Nonadiabatic Dynamics of 9H-Guanine

Chemphyschem, 2009-06, Vol.10 (8), p.1225-1229

2009

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Synthesis and Investigation of Electro-Optical Properties of H-Shape Dibenzofulvene Derivatives

Molecules (Basel, Switzerland), 2022-02, Vol.27 (3), p.1091

2022

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Electrostatic Mechanophores in Tuneable Light‐Emitting Piezopolymer Nanowires

Advanced materials (Weinheim), 2017-08, Vol.29 (29), p.n/a

2017

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Corrigendum to “Enhancing mechanical properties and wear resistance of heavy-haul rail systems through complex microstructure control” [J. Mater. Res. Technol., 27, November–December 2023, 1146–1159]

Journal of materials research and technology, 2024-03, Vol.29, p.1664-1664

2024

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Kinetic Energy Density Functionals Based on a Generalized Screened Coulomb Potential: Linear Response and Future Perspectives

Computation, 2022-02, Vol.10 (2), p.30

2022

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Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method

The Journal of chemical physics, 2014-07, Vol.141 (2), p.024113-024113

2014

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Characterization of Poly(3-hydroxybutyrate) (P3HB) from Alternative, Scalable (Waste) Feedstocks

Bioengineering (Basel), 2023-11, Vol.10 (12), p.1382

2023

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Seeking widely applicable dispersion-corrected GGA functionals: The performances of TCA+D3 and RevTCA+D3 on solid-state systems

Computational materials science, 2023-01, Vol.216, p.111826, Article 111826

2023

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Microstructural evolution and corrosion behavior of non-isothermally heat treated hypoeutectic Al-Si-Cu alloy

Next materials, 2024-10, Vol.5, p.100262, Article 100262

2024

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Interfacial Electronic Structure of the Dipolar Vanadyl Naphthalocyanine on Au(111): “Push-Back” vs Dipolar Effects

Journal of physical chemistry. C, 2011-11, Vol.115 (43), p.21128-21138

2011

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Kinetic and Exchange Energy Densities near the Nucleus

Computation, 2016-06, Vol.4 (2), p.19-19

2016

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Photoinduced Nonadiabatic Dynamics of Pyrimidine Nucleobases: On-the-Fly Surface-Hopping Study with Semiempirical Methods

The journal of physical chemistry. B, 2009-03, Vol.113 (11), p.3548-3555

2009

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Solid-State Testing of a Van-Der-Waals-Corrected Exchange-Correlation Functional Based on the Semiclassical Atom Theory

Computation, 2018-03, Vol.6 (1), p.7

2018

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Assessment of interaction-strength interpolation formulas for gold and silver clusters

The Journal of chemical physics, 2018-04, Vol.148 (13), p.134106-134106

2018

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Restoring Size Consistency of Approximate Functionals Constructed from the Adiabatic Connection

The journal of physical chemistry letters, 2018-06, Vol.9 (11), p.3137-3142

2018

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MAP: An MP2 Accuracy Predictor for Weak Interactions from Adiabatic Connection Theory

Journal of chemical theory and computation, 2020-07, Vol.16 (7), p.4141-4149

2020

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Kinetic-energy-density dependent semilocal exchange-correlation functionals

International journal of quantum chemistry, 2016-11, Vol.116 (22), p.1641-1694

2016

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Colorless to All-Black Full-NIR High-Contrast Switching in Solid Electrochromic Films Prepared with Organic Mixed Valence Systems Based on Dibenzofulvene Derivatives

Chemistry of materials, 2018-08, Vol.30 (16), p.5610-5620

2018

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Communication: Strong-interaction limit of an adiabatic connection in Hartree-Fock theory

The Journal of chemical physics, 2018-12, Vol.149 (24), p.241101-241101

2018

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Semilocal Pauli–Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of Solids

“Darker-than-Black” PbS Quantum Dots: Enhancing Optical Absorption of Colloidal Semiconductor Nanocrystals via Short Conjugated Ligands

Dispersion corrections applied to the TCA family of exchange-correlation functionals

Semiclassical atom theory applied to solid-state physics

Performance of Semilocal Kinetic Energy Functionals for Orbital-Free Density Functional Theory

Enhancing mechanical properties and wear resistance of heavy-haul rail systems through complex microstructure control

Photoinduced Nonadiabatic Dynamics of 9H-Guanine

Synthesis and Investigation of Electro-Optical Properties of H-Shape Dibenzofulvene Derivatives

Electrostatic Mechanophores in Tuneable Light‐Emitting Piezopolymer Nanowires

Corrigendum to “Enhancing mechanical properties and wear resistance of heavy-haul rail systems through complex microstructure control” [J. Mater. Res. Technol., 27, November–December 2023, 1146–1159]

Kinetic Energy Density Functionals Based on a Generalized Screened Coulomb Potential: Linear Response and Future Perspectives

Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method

Characterization of Poly(3-hydroxybutyrate) (P3HB) from Alternative, Scalable (Waste) Feedstocks

Seeking widely applicable dispersion-corrected GGA functionals: The performances of TCA+D3 and RevTCA+D3 on solid-state systems

Microstructural evolution and corrosion behavior of non-isothermally heat treated hypoeutectic Al-Si-Cu alloy

Interfacial Electronic Structure of the Dipolar Vanadyl Naphthalocyanine on Au(111): “Push-Back” vs Dipolar Effects

Kinetic and Exchange Energy Densities near the Nucleus

Photoinduced Nonadiabatic Dynamics of Pyrimidine Nucleobases: On-the-Fly Surface-Hopping Study with Semiempirical Methods

Solid-State Testing of a Van-Der-Waals-Corrected Exchange-Correlation Functional Based on the Semiclassical Atom Theory

Assessment of interaction-strength interpolation formulas for gold and silver clusters

Restoring Size Consistency of Approximate Functionals Constructed from the Adiabatic Connection

MAP: An MP2 Accuracy Predictor for Weak Interactions from Adiabatic Connection Theory

Kinetic-energy-density dependent semilocal exchange-correlation functionals

Colorless to All-Black Full-NIR High-Contrast Switching in Solid Electrochromic Films Prepared with Organic Mixed Valence Systems Based on Dibenzofulvene Derivatives

Communication: Strong-interaction limit of an adiabatic connection in Hartree-Fock theory

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