S. Er

发表

A metal-free organic–inorganic aqueous flow battery

Michael P. Marshak, Cooper J. Galvin, Alán Aspuru-Guzik, 2014, Nature.

Computational design of molecules for an all-quinone redox flow battery

Michael P. Marshak, Alán Aspuru-Guzik, C. Suh, 2014, Chemical science.

AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds

Murat Cihan Sorkun, S. Er, M. Sorkun, 2019, Scientific Data.

Data-driven discovery of small electroactive molecules for energy storage in aqueous redox flow batteries

Andrea Loss, S. Er, A. Khetan, 2022, Energy Storage Materials.

Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage

S. Er, A. Khetan, Qi Zhang, 2020, Scientific reports.

RedDB, a computational database of electroactive molecules for aqueous redox flow batteries

Murat Cihan Sorkun, S. Er, A. Khetan, 2021, Scientific Data.

A quantitative evaluation of computational methods to accelerate the study of alloxazine-derived electroactive compounds for energy storage

S. Er, A. Khetan, Qi Zhang, 2020, Scientific Reports.

High electrical conductivity in Ni₃(2,3,6,7,10,11-hexaiminotriphenylene)₂, a semiconducting metal-organic graphene analogue.

Alán Aspuru-Guzik, Süleyman Er, Dennis Sheberla, 2014, Journal of the American Chemical Society.

Data-driven discovery of small electroactive molecules for energy storage in aqueous redox flow batteries

Andrea Loss, S. Er, A. Khetan, 2021, Energy Storage Materials.

Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage

S. Er, A. Khetan, Qi Zhang, 2020, Scientific Reports.

Layer-by-Layer Assembled Films of Perylene Diimide- and Squaraine-Containing Metal-Organic Framework-like Materials: Solar Energy Capture and Directional Energy Transfer.

Nicolaas A. Vermeulen, J. F. Stoddart, G. Wiederrecht, 2016, ACS applied materials & interfaces.

Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study

S. Er, Liangyin Xiong, Shi Liu, 2018, International Journal of Hydrogen Energy.

First-principles modelling of magnesium titanium hydrides

G. Brocks, M. J. van Setten, G. D. de Wijs, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

Tunable hydrogen storage in magnesium-transition metal compounds: First-principles calculations

G. Brocks, G. Wijs, D. Tiwari, 2008, 0810.2254.

Preferential oxidation of CO in H2 on Cu and Cu/CeOx catalysts studied by in situ UV–Vis and mass spectrometry and DFT

H. Fredriksson, J. Niemantsverdriet, Y. Bu, 2018 .

OPTIMADE, an API for exchanging materials data

Matthew K. Horton, A. J. Morris, G. Rignanese, 2021, Scientific Data.

ChemPlot, a Python library for chemical space visualization

Murat Cihan Sorkun, J. Koelman, S. Er, 2021, Chemistry–Methods.

Hydrogen Storage by Polylithiated Molecules and Nanostructures

Geert Brocks, G. Brocks, G. Wijs, 2009, 0902.2339.

Improved hydrogen storage in Ca-decorated boron heterofullerenes: a theoretical study

G. Brocks, G. Wijs, S. Er, 2015 .

DFT Study of Planar Boron Sheets: A New Template for Hydrogen Storage

G. Brocks, G. Wijs, S. Er, 2009, 0910.0929.

AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds

Murat Cihan Sorkun, S. Er, A. Khetan, 2019, Scientific Data.

Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D2 on Cu(211)

K. Cao, G. Kroes, A. Kleyn, 2017, The journal of physical chemistry letters.

Potassium hydride-intercalated graphite as an efficient heterogeneous catalyst for ammonia synthesis

F. Chang, J. Hofmann, P. Ngene, 2022, Nature Catalysis.

Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project

Alán Aspuru-Guzik, Zhenan Bao, Süleyman Er, 2014 .

An artificial intelligence-aided virtual screening recipe for two-dimensional materials discovery

Murat Cihan Sorkun, J. Koelman, S. Er, 2020, npj Computational Materials.

Empowering hydrogen storage properties of haeckelite monolayers via metal atom functionalization

S. Er, A. Karton, T. Hussain, 2021 .

Pushing the limits of solubility prediction via quality-oriented data selection

Murat Cihan Sorkun, J. Koelman, S. Er, 2020, iScience.

Hydrogen storage properties of Li-decorated B2S monolayers: A DFT study

S. Er, Shi Liu, Zhiyang Liu, 2019, International Journal of Hydrogen Energy.

Tuning the Hydrogen Storage in Magnesium Alloys

G. Brocks, S. Er, G. A. de Wijs, 2010 .

OPTIMADE, an API for exchanging materials data

Andrew J. Morris, K. Persson, G. Rignanese, 2021, Scientific Data.

Carbon nanofibers in catalytic membrane microreactors

Matthias Wessling, H. C. Aran, L. Lefferts, 2011 .

Surface charging activated mechanism change: A computational study of O, CO, and CO2 interactions on Ag electrodes

M. V. D. van de Sanden, S. Er, I. Tezsevin, 2020, Journal of Energy Chemistry.

Layer-by-Layer Assembled Films of Perylene Diimide- and Squaraine-Containing Metal-Organic Framework-like Materials: Solar Energy Capture and Directional Energy Transfer.

Nicolaas A. Vermeulen, G. Wiederrecht, Alán Aspuru-Guzik, 2016, ACS applied materials & interfaces.

High electrical conductivity in Ni₃(2,3,6,7,10,11-hexaiminotriphenylene)₂, a semiconducting metal-organic graphene analogue.

Alán Aspuru-Guzik, M. Blood-Forsythe, M. Dincǎ, 2014, Journal of the American Chemical Society.

Evaluation of Computational Chemistry Methods for Predicting Redox Potentials of Quinone-Based Cathodes for Li-Ion Batteries

Xuan Zhou, S. Er, Abhishek Khetan, 2021, Batteries.

High-Throughput Computational Screening of Cubic Perovskites for Solid Oxide Fuel Cell Cathodes.

M. V. D. van de Sanden, S. Er, I. Tezsevin, 2021, The journal of physical chemistry letters.