Johannes Hoja
Title
Cited by
Cited by
Year
Report on the sixth blind test of organic crystal structure prediction methods
AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ...
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016
3852016
First‐principles modeling of molecular crystals: structures and stabilities, temperature and pressure
J Hoja, AM Reilly, A Tkatchenko
Wiley Interdisciplinary Reviews: Computational Molecular Science 7 (1), e1294, 2017
1242017
Reliable and practical computational description of molecular crystal polymorphs
J Hoja, HY Ko, MA Neumann, R Car, RA DiStasio, A Tkatchenko
Science Advances 5 (1), eaau3338, 2019
842019
Powder diffraction and crystal structure prediction identify four new coumarin polymorphs
AG Shtukenberg, Q Zhu, DJ Carter, L Vogt, J Hoja, E Schneider, H Song, ...
Chemical science 8 (7), 4926-4940, 2017
712017
Is electrostatics sufficient to describe hydrogen‐bonding interactions?
J Hoja, AF Sax, K Szalewicz
Chemistry–A European Journal 20 (8), 2292-2300, 2014
522014
First-principles stability ranking of molecular crystal polymorphs with the DFT+ MBD approach
J Hoja, A Tkatchenko
Faraday discussions 211, 253-274, 2018
252018
Computational polymorph screening reveals late-appearing and poorly-soluble form of rotigotine
M Mortazavi, J Hoja, L Aerts, L Quéré, J van de Streek, MA Neumann, ...
Communications Chemistry 2 (1), 1-7, 2019
212019
Strong local-field enhancement of the nonlinear soft-mode response in a molecular crystal
G Folpini, K Reimann, M Woerner, T Elsaesser, J Hoja, A Tkatchenko
Physical review letters 119 (9), 097404, 2017
182017
Variational solution of the congruently transformed Hamiltonian for many-electron systems using a full-configuration-interaction calculation
JM Elward, J Hoja, A Chakraborty
Physical Review A 86 (6), 062504, 2012
152012
QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
J Hoja, LM Sandonas, BG Ernst, A Vazquez-Mayagoitia, RA DiStasio Jr, ...
Scientific data 8 (1), 1-11, 2021
142021
Adsorption of Glucose, Cellobiose, and Cellotetraose onto Cellulose Model Surfaces
J Hoja, RJ Maurer, AF Sax
The Journal of Physical Chemistry B 118 (30), 9017–9027, 2014
132014
Revised values for the X23 benchmark set of molecular crystals
GA Dolgonos, J Hoja, AD Boese
Physical Chemistry Chemical Physics 21 (44), 24333-24344, 2019
92019
Hidden beneath the surface: origin of the observed enantioselective adsorption on PdGa (111)
AV Yakutovich, J Hoja, D Passerone, A Tkatchenko, CA Pignedoli
Journal of the American Chemical Society 140 (4), 1401-1408, 2018
92018
Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion
M Addicoat, CS Adjiman, M Arhangelskis, GJO Beran, D Bowskill, ...
Faraday discussions 211, 325-381, 2018
62018
Quantum Mechanics Enables" Freedom of Design" in Molecular Property Space
LM Sandonas, J Hoja, BG Ernst, A Vazquez-Mayagoitia, RA DiStasio Jr, ...
2021
Exploring the quantum chemical space of small molecules: QM7-X database
J Hoja, L Medrano Sandonas, B Ernst, A Vazquez-Mayagoitia, R Distasio, ...
Bulletin of the American Physical Society 65, 2020
2020
Adhesion, forces and the stability of interfaces
R Guttmann, J Hoja, C Lechner, RJ Maurer, AF Sax
Beilstein journal of organic chemistry 15 (1), 106-129, 2019
2019
First-Principles Modeling of Molecular Crystals: Crystal Structure Prediction and Vibrational Properties
J Hoja
University of Luxembourg, Luxembourg, 2018
2018
Molecular crystal structure prediction from large-scale first-principles calculations
J Hoja, HY Ko, M Neumann, R Car, R Distasio, A Tkatchenko
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
First-Principles Molecular Crystal Structure Prediction: The Importance of Collective van der Waals Interactions and Free Energies
J Hoja, HY Ko, R Car, RA DiStasio Jr, A Tkatchenko
APS March Meeting Abstracts 2017, L1. 009, 2017
2017
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Articles 1–20