Piotr de Silva

Piotr de Silva

Assistant Professor

DTU ENERGY
Department of Energy Conversion and Storage

Technical University of Denmark

Fysikvej

Building 309, room 140

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

Type: Journal article (Peer reviewed)

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

 

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

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

 

Shorter Exciton Lifetimes via an External Heavy‐Atom Effect: Alleviating the Effects of Bimolecular Processes in Organic Light‐Emitting Diodes

Einzinger, Markus ; Zhu, Tianyu ; de Silva, Piotr ; Belger, Christian ; Swager, Timothy M. ; Voorhis, Troy Van ; Baldo, Marc A.
in: Advanced Materials, vol: 29, issue: 40

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/0.1002/adma.201701987

2016
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Many-electron expansion: A density functional hierarchy for strongly correlated systems

Zhu, Tianyu ; de Silva, Piotr ; van Aggelen, Helen ; Van Voorhis, Troy
in: Physical Review B, vol: 93, issue: 20

Type: Journal article

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1103/PhysRevB.93.201108

 

Visualizing and Quantifying Interactions in the Excited State

Vannay, Laurent ; Bremond, Eric ; de Silva, Piotr ; Corminboeuf, Clemence
in: Chemistry-a European Journal, vol: 22, issue: 51, pages: 18442-18449

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1002/chem.201603914