Publications by authors named "Noa Marom"

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Genarris 3.0: Generating Close-Packed Molecular Crystal Structures with Rigid Press.
Yi Yang, Rithwik Tom, Jose A G L Wui, Jonathan E Moussa, Noa Marom

J Chem Theory Comput· November 2025

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Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials.
Kamal Singh Nayal, Dana O'Connor, Roman Zubatyuk, Dylan M Anstine, Yi Yang, Noa Marom

Cryst Growth Des· November 2025

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Femtosecond laser-assisted half top hat penetrating keratoplasty for keratoglobus.
Dahlia Palevski, Noa Reinhertz Marom, Eitan Livny, Yoav Nahum, Samuel Levinger

Am J Ophthalmol Case Rep· September 2025

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PAH101: A GW+BSE Dataset of 101 Polycyclic Aromatic Hydrocarbon (PAH) Molecular Crystals.
Siyu Gao, Xingyu Liu, Yiqun Luo, Xiaopeng Wang, Kaiji Zhao, Noa Marom

Sci Data· April 2025

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Structure Prediction of Ionic Epitaxial Interfaces with Ogre Demonstrated for Colloidal Heterostructures of Lead Halide Perovskites.
Stefano Toso, Derek Dardzinski, Liberato Manna, Noa Marom

ACS Nano· February 2025

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First-Principles Assessment of ZnTe and CdSe as Prospective Tunnel Barriers at the InAs/Al Interface.
Malcolm J A Jardine, Derek Dardzinski, Zefeng Cai, Vladimir N Strocov, Moïra Hocevar, Noa Marom

ACS Appl Mater Interfaces· January 2025

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The seventh blind test of crystal structure prediction: structure generation methods.
Lily M Hunnisett, Jonas Nyman, Nicholas Francia, Nathan S Abraham, Claire S Adjiman, Noa Marom

Acta Crystallogr B Struct Sci Cryst Eng Mater· December 2024

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The seventh blind test of crystal structure prediction: structure ranking methods.
Lily M Hunnisett, Nicholas Francia, Jonas Nyman, Nathan S Abraham, Srinivasulu Aitipamula, Noa Marom

Acta Crystallogr B Struct Sci Cryst Eng Mater· December 2024

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Cryo-tomography and 3D Electron Diffraction Reveal the Polar Habit and Chiral Structure of the Malaria Pigment Crystal Hemozoin.
Paul Benjamin Klar, David Geoffrey Waterman, Tim Gruene, Debakshi Mullick, Yun Song, Noa Marom

ACS Cent Sci· August 2024

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Computational Discovery of Intermolecular Singlet Fission Materials Using Many-Body Perturbation Theory.
Xiaopeng Wang, Siyu Gao, Yiqun Luo, Xingyu Liu, Rithwik Tom, Noa Marom

J Phys Chem C Nanomater Interfaces· May 2024

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Inverted Lowest Singlet and Triplet Excitation Energy Ordering of Graphitic Carbon Nitride Flakes.
Xiaopeng Wang, Aizhu Wang, Mingwen Zhao, Noa Marom

J Phys Chem Lett· December 2023

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Ab Initio Crystal Structure Prediction of the Energetic Materials LLM-105, RDX, and HMX.
Dana O'Connor, Imanuel Bier, Rithwik Tom, Anna M Hiszpanski, Brad A Steele, Noa Marom

Cryst Growth Des· September 2023

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Correction to "First-Principles Assessment of CdTe as a Tunnel Barrier at the α-Sn/InSb Interface".
Malcolm J A Jardine, Derek Dardzinski, Maituo Yu, Amrita Purkayastha, An-Hsi Chen, Noa Marom

ACS Appl Mater Interfaces· June 2023

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First-Principles Assessment of CdTe as a Tunnel Barrier at the α-Sn/InSb Interface.
Malcolm J A Jardine, Derek Dardzinski, Maituo Yu, Amrita Purkayastha, An-Hsi Chen, Noa Marom

ACS Appl Mater Interfaces· March 2023

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Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization.
Rithwik Tom, Siyu Gao, Yi Yang, Kaiji Zhao, Imanuel Bier, Noa Marom

Chem Mater· February 2023

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True molecular conformation and structure determination by three-dimensional electron diffraction of PAH by-products potentially useful for electronic applications.
Iryna Andrusenko, Charlie L Hall, Enrico Mugnaioli, Jason Potticary, Simon R Hall, Noa Marom

IUCrJ· January 2023

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Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic Materials.
Dana O'Connor, Imanuel Bier, Yun-Ting Hsieh, Noa Marom

J Chem Theory Comput· July 2022

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Best practices for first-principles simulations of epitaxial inorganic interfaces.
Derek Dardzinski, Maituo Yu, Saeed Moayedpour, Noa Marom

J Phys Condens Matter· April 2022

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3D Electron Diffraction Structure Determination of Terrylene, a Promising Candidate for Intermolecular Singlet Fission.
Charlie L Hall, Iryna Andrusenko, Jason Potticary, Siyu Gao, Xingyu Liu, Noa Marom

Chemphyschem· August 2021

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Structure prediction of epitaxial inorganic interfaces by lattice and surface matching with Ogre.
Saeed Moayedpour, Derek Dardzinski, Shuyang Yang, Andrea Hwang, Noa Marom

J Chem Phys· July 2021

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Machine Learned Model for Solid Form Volume Estimation Based on Packing-Accessible Surface and Molecular Topological Fragments.
Imanuel Bier, Noa Marom

J Phys Chem A· December 2020

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Ogre: A Python package for molecular crystal surface generation with applications to surface energy and crystal habit prediction.
Shuyang Yang, Imanuel Bier, Wen Wen, Jiawei Zhan, Saeed Moayedpour, Noa Marom

J Chem Phys· June 2020

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Pyrene-stabilized acenes as intermolecular singlet fission candidates: importance of exciton wave-function convergence.
Xingyu Liu, Rithwik Tom, Xiaopeng Wang, Cameron Cook, Bohdan Schatschneider, Noa Marom

J Phys Condens Matter· May 2020

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Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion.
Matthew Addicoat, Claire S Adjiman, Mihails Arhangelskis, Gregory J O Beran, David Bowskill, Noa Marom

Faraday Discuss· October 2018

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Structure searching methods: general discussion.
Matthew Addicoat, Claire S Adjiman, Mihails Arhangelskis, Gregory J O Beran, Jan Gerit Brandenburg, Noa Marom

Faraday Discuss· October 2018

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