Sergei Tretiak

Research interests

Publications

• Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials

  Chemical Reviews · 2020 · https://doi.org/10.1021/acs.chemrev.9b00447

• The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules

  Scientific Data · 2020 · https://doi.org/10.1038/s41597-020-0473-z

• Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning

  Nature Communications · 2019 · https://doi.org/10.1038/s41467-019-10827-4

• Stable Light‐Emitting Diodes Using Phase‐Pure Ruddlesden–Popper Layered Perovskites

  Advanced Materials · 2018 · https://doi.org/10.1002/adma.201704217

• Scaling law for excitons in 2D perovskite quantum wells

  Nature Communications · 2018 · https://doi.org/10.1038/s41467-018-04659-x

• Light-induced lattice expansion leads to high-efficiency perovskite solar cells

  Science · 2018 · https://doi.org/10.1126/science.aap8671

• Extremely efficient internal exciton dissociation through edge states in layered 2D perovskites

  Science · 2017 · https://doi.org/10.1126/science.aal4211

• High-efficiency two-dimensional Ruddlesden–Popper perovskite solar cells

  Nature · 2016 · https://doi.org/10.1038/nature18306

• High-efficiency solution-processed perovskite solar cells with millimeter-scale grains

  Science · 2015 · https://doi.org/10.1126/science.aaa0472

• Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials

  Accounts of Chemical Research · 2014 · https://doi.org/10.1021/ar400263p

• Nonadiabatic excited-state molecular dynamics: Treatment of electronic decoherence

  The Journal of Chemical Physics · 2013 · https://doi.org/10.1063/1.4809568

• Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules

  The Journal of Chemical Physics · 2012 · https://doi.org/10.1063/1.4732536

• Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules

  The Journal of Physical Chemistry B · 2011 · https://doi.org/10.1021/jp109522g

• Third and Fourth Optical Transitions in Semiconducting Carbon Nanotubes

  Physical Review Letters · 2007 · https://doi.org/10.1103/physrevlett.98.067401

• Conformational Dynamics of Photoexcited Conjugated Molecules

  Physical Review Letters · 2002 · https://doi.org/10.1103/physrevlett.89.097402

• Density Matrix Analysis and Simulation of Electronic Excitations in Conjugated and Aggregated Molecules

  Chemical Reviews · 2002 · https://doi.org/10.1021/cr0101252

• Localized Electronic Excitations in Phenylacetylene Dendrimers

  The Journal of Physical Chemistry B · 1998 · https://doi.org/10.1021/jp980745f

• Stilbenoid Dimers: Dissection of a Paracyclophane Chromophore

  Journal of the American Chemical Society · 1998 · https://doi.org/10.1021/ja973816h

• Electronic Coherence and Collective Optical Excitations of Conjugated Molecules

  Science · 1997 · https://doi.org/10.1126/science.277.5327.781

Current projects

No projects listed.