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Theoretical and Computational Chemistry

Working Paper

libkrylov, a Modular Open-Source Software Library for Extremely Large On-the-Fly Matrix Computations

Dmitrij Rappoport, Samuel Bekoe, Luke Nambi Mohanam, Scott Le, Naje' George, Filipp Furche

Version 2 posted 05 December 2022

303

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Theoretical and Computational Chemistry

Working Paper

Theoretical Study of Divalent Bis(Pentaisopropylcyclopentadienyl) Actinocenes

Jason M. Yu, Filipp Furche

Version 1 posted 19 August 2019

398

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2

Citations

Inorganic Chemistry

Working Paper

Clock Transition Due to a Record 1240 G Hyperfine Interaction in a Lu(II) Molecular Spin Qubit

Krishnendu Kundu, Jessica R. K. White, Samuel A. Moehring, Jason M. Yu, Joseph W. Ziller, Filipp Furche, William J. Evans, Stephen Hill

Version 1 posted 12 April 2021

789

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3

Citations

Physical Chemistry

Working Paper

Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules

Brian Nguyen, Guo P Chen, Matthew M. Agee, Asbjörn M. Burow, Matthew Tang, Filipp Furche

Version 2 posted 17 February 2020

972

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Physical Chemistry

Working Paper

Assessment of Density Functional Theory in Predicting Interaction Energies Between Water and Polycyclic Aromatic Hydrocarbons: From Water on Benzene to Water on Graphene

Adeayo Ajala, Vamsee K. Voora, Narbe Mardirossian, Filipp Furche, Paesani Lab

Version 1 posted 27 November 2018

1,031

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Theoretical and Computational Chemistry

Working Paper

Computation of Chemically Accurate Singlet-Triplet Gaps for Aryl-carbenes at Hybrid Functional Cost

Robin Grotjahn, Justin Purnomo, Filipp Furche

Version 1 posted 28 November 2023

101

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Organic Chemistry

Working Paper

Hydroselenation of Simple Olefins: Elucidating the β-Selenium Radical Effect

Gabriel Phun, Hannah Slocumb, Shaozhen Nie, Kirsten Ruud, Cheyenne Antonio, Filipp Furche, Vy Dong, Xiao-Hui Yang

Version 1 posted 18 March 2024

320

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7 results in Filipp Furche in Authors: Filipp Furche

libkrylov, a Modular Open-Source Software Library for Extremely Large On-the-Fly Matrix Computations

Theoretical Study of Divalent Bis(Pentaisopropylcyclopentadienyl) Actinocenes

Clock Transition Due to a Record 1240 G Hyperfine Interaction in a Lu(II) Molecular Spin Qubit

Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules

Assessment of Density Functional Theory in Predicting Interaction Energies Between Water and Polycyclic Aromatic Hydrocarbons: From Water on Benzene to Water on Graphene

Computation of Chemically Accurate Singlet-Triplet Gaps for Aryl-carbenes at Hybrid Functional Cost

Hydroselenation of Simple Olefins: Elucidating the β-Selenium Radical Effect

7 results in Authors: Filipp Furche