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Edina Rosta

6PUBLICATIONS

9CO-AUTHORS

Theoretical quantum chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Integrable systems (classical and quantum)Statistical mechanics, physical combinatorics and mathematical aspects of condensed matter

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Publications (6)

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|Jan 15, 2021

A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations.

Xiaoliang Pan, Kwangho Nam, Evgeny Epifanovsky

|Dec 09, 2020

Simulated tempering with irreversible Gibbs sampling techniques.

Fahim Faizi, Pedro J Buigues, George Deligiannidis

|Mar 16, 2020

Correlation functions, mean first passage times, and the Kemeny constant.

Adam Kells, Vladimir Koskin, Edina Rosta

|Nov 24, 2019

Markov Models of Molecular Kinetics.

Frank Noé, Edina Rosta

|Apr 08, 2019

Mean first passage times in variational coarse graining using Markov state models.

Adam Kells, Zsuzsanna É Mihálka, Alessia Annibale

|Aug 24, 2018

Limiting relaxation times from Markov state models.

Adam Kells, Alessia Annibale, Edina Rosta

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Frequent Collaborators

3 joint publications

Adam Kells

3 joint publications

Alessia Annibale

1 joint publications

Frank Noé

1 joint publications

Fahim Faizi

1 joint publications

Pedro J Buigues

1 joint publications

Xiaoliang Pan

1 joint publications

Kwangho Nam

1 joint publications

Andrew C Simmonett

1 joint publications

Yihan Shao

Frequent Collaborators

3 joint publications

Adam Kells

3 joint publications

Alessia Annibale

1 joint publications

Frank Noé

1 joint publications

Fahim Faizi

Stochastic analysis and modelling

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