Daniel Schwalbe-Koda
Title
Cited by
Cited by
Year
Coincidence lattices of 2D crystals: Heterostructure predictions and applications
DS Koda, F Bechstedt, M Marques, LK Teles
The Journal of Physical Chemistry C 120 (20), 10895-10908, 2016
532016
Tuning Electronic Properties and Band Alignments of Phosphorene Combined With MoSe2 and WSe2
DS Koda, F Bechstedt, M Marques, L Kühl Teles
The Journal of Physical Chemistry C 121 (7), 3862-3869, 2017
462017
Trends on band alignments: Validity of Anderson's rule in SnS - and SnSe -based van der Waals heterostructures
DS Koda, F Bechstedt, M Marques, LK Teles
Physical Review B 97 (16), 165402, 2018
332018
Generative models for automatic chemical design
D Schwalbe-Koda, R Gómez-Bombarelli
Machine Learning Meets Quantum Physics, 445-467, 2020
252020
Deposition of topological silicene, germanene and stanene on graphene-covered SiC substrates
F Matusalem, DS Koda, F Bechstedt, M Marques, LK Teles
Scientific Reports 7, 15700, 2017
242017
Graph similarity drives zeolite diffusionless transformations and intergrowth
D Schwalbe-Koda, Z Jensen, E Olivetti, R Gómez-Bombarelli
Nature Materials 18, 1177-1181, 2019
162019
Temperature-transferable coarse-graining of ionic liquids with dual graph convolutional neural networks
J Ruza, W Wang, D Schwalbe-Koda, S Axelrod, WH Harris, ...
The Journal of Chemical Physics 153, 164501, 2020
92020
Charge qubit in van der Waals heterostructures
B Lucatto, DS Koda, F Bechstedt, M Marques, LK Teles
Physical Review B 100, 121406(R), 2019
82019
Approximate quasiparticle correction for calculations of the energy gap in two-dimensional materials
I Guilhon, DS Koda, LG Ferreira, M Marques, LK Teles
Physical Review B 97 (4), 045426, 2018
82018
Coincidence Lattices and Interlayer Twist in van der Waals Heterostructures: Application of the Coincidence Lattice Method on\ hbox {hBN/MoSe} _2 Heterobilayer Systems
DS Koda, F Bechstedt, M Marques, LK Teles
Journal of Electronic Materials 46 (7), 3910-3916, 2017
42017
Active learning accelerates ab initio molecular dynamics on reactive energy surfaces
SJ Ang, W Wang, D Schwalbe-Koda, S Axelrod, R Gómez-Bombarelli
Chem 7 (3), 738-751, 2021
12021
Supramolecular Recognition in Crystalline Nanocavities Through Monte Carlo and Voronoi Network Algorithms
D Schwalbe-Koda, R Gomez-Bombarelli
The Journal of Physical Chemistry C 125 (5), 3009–3017, 2021
12021
Benchmarking binding energy calculations for organic structure-directing agents in pure-silica zeolites
D Schwalbe-Koda, R Gomez-Bombarelli
ChemRxiv, 2020
12020
Active learning accelerates ab initio molecular dynamics on pericyclic reactive energy surfaces
SJ Ang, W Wang, D Schwalbe-Koda, S Axelrod, R Gomez-Bombarelli
ChemRxiv, 2020
12020
Discovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks
Z Jensen, S Kwon, D Schwalbe-Koda, C Paris, R Gómez-Bombarelli, ...
ACS Central Science, 2021
2021
Differentiable sampling of molecular geometries with uncertainty-based adversarial attacks
D Schwalbe-Koda, AR Tan, R Gómez-Bombarelli
arXiv preprint arXiv:2101.11588, 2021
2021
Band Offsets Engineering for van der Waals Heterostructure Devices
DS Koda, F Bechstedt, M Marques, LK Teles
Bulletin of the American Physical Society 62 (4), 2017
2017
PROPRIEDADES ELETRÔNICAS DE MATERIAIS BIDIMENSIONAIS E SUAS HETEROESTRUTURAS
DS Koda, LK Teles
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Articles 1–18