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List of works by Johannes Hachmann

A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules

scientific article published on 09 July 2019

A theoretical study of the 3d-M(smif)2 complexes: structure, magnetism, and oxidation states

scientific article published on 27 September 2011

Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics

Analytic response theory for the density matrix renormalization group

scientific article published on 01 May 2009

Benchmarking DFT approaches for the calculation of polarizability inputs for refractive index predictions in organic polymers

scientific article published on 01 February 2019

Combining first-principles and data modeling for the accurate prediction of the refractive index of organic polymers

scientific article published on 01 June 2018

Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group.

scientific article published in October 2006

Open Chemistry, <scp>JupyterLab</scp>, <scp>REST</scp>, and quantum chemistry

scientific article published in 2020

Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene.

scientific article published in April 2008

Revisiting the polytopal rearrangements in penta-coordinate d7-metallocomplexes: modified Berry pseudorotation, octahedral switch, and butterfly isomerization

scientific article published on 2 June 2017

Roaming-like Mechanism for Dehydration of Diol Radicals

scientific article published on 11 December 2018

The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid

article by Johannes Hachmann et al published 22 August 2011 in Journal of Physical Chemistry Letters

The Harvard organic photovoltaic dataset

scientific article

The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical Chemistry

scientific article published on 01 November 2020

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