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

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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