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Piotr de Silva

Piotr de Silva

Assistant Professor

DTU ENERGY
Department of Energy Conversion and Storage

Technical University of Denmark

Anker Engelunds Vej

Building 301, room 114

2800 Kgs. Lyngby

Ph. +45 45 25 82 08
E-mail pdes@dtu.dk
ORCID 0000-0002-4985-7350
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ALL Article in Journal (22) Academic Dissertation (0) Book (2) Conference (5) Report (0) MISC (0) PATENT (0) Peer Reviewed (26)
2019
 

Correcting DFT errors through v-representable density partitioning

de Silva, Piotr ; Zhu, Tianyu ; Voorhis, Troy Van
in: American Chemical Society. Abstracts of Papers (at the National Meeting), vol: 256
Presented at: 256th ASC National Meeting

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2019

 

Extracting Design Principles for Efficient Thermally Activated Delayed Fluorescence (TADF) from a Simple Four-State Model

de Silva, Piotr ; Kim, Changhae Andrew ; Zhu, Tianyu ; Voorhis, Troy Van
in: Chemistry of Materials, vol: 31, issue: 17, pages: 6995-7006

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.chemmater.9b01601

 

On the Inverted Singlet-Triplet Gaps and Their Relevance to Thermally-Activated Delayed Fluorescence

de Silva, Piotr
in: The Journal of Physical Chemistry Letters, vol: 10, issue: 18, pages: 5674-5679

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.jpclett.9b02333

 

Self-Attractive Hartree partitioning for density-based embedding

de Silva, Piotr ; Van Voorhis, Troy ; Zhu, Tianyu
in: American Chemical Society. Abstracts of Papers (at the National Meeting), vol: 257

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2019

 

Static and dynamic energetic disorder in OLED materials

de Silva, Piotr ; Voorhis, Troy Van
in: American Chemical Society. Abstracts of Papers (at the National Meeting), vol: 256
Presented at: 256th ASC National Meeting

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    Year: 2019

 

Unexpectedly Large Couplings Between Orthogonal Units in Anthraquinone Polymers

Fornari, Rocco P. ; de Silva, Piotr
in: Chemistry: A European Journal, vol: 25, issue: 64, pages: 14651-14658

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1002/chem.201903227

2018
 

Charge Transfer in Molecular Materials

Zhu, Tianyu ; Voorhis, Troy Van ; de Silva, Piotr
part of: Handbook of Materials Modeling, 2018, Springer

Type: Book chapter (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1007/978-3-319-42913-7_7-1

 

QM/MM Study of Static and Dynamic Energetic Disorder in the Emission Layer of an Organic Light-Emitting Diode

de Silva, Piotr ; Voorhis, Troy Van
in: The Journal of Physical Chemistry Letters, vol: 9, pages: 1329-1334

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1021/acs.jpclett.8b00040

2017
 

Long-range interactions from the many-pair expansion: A different avenue to dispersion in DFT

de Silva, Piotr ; Zhu, Tianyu ; Voorhis, Troy Van
in: Journal of Chemical Physics, vol: 146

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1063/1.4973728

 

Self-Attractive Hartree Decomposition: Partitioning Electron Density into Smooth Localized Fragments

Zhu, Tianyu ; de Silva, Piotr ; Voorhis, Troy Van
in: Journal of Chemical Theory and Computation

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2017     |    DOI: https://doi.org/10.1021/acs.jctc.7b00931


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