Tobias Schafer
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Explore the profile of Tobias Schafer including associated specialties, affiliations and a list of published articles.
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38
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758
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Recent Articles
11.
Schafer T, Gallo A, Irmler A, Hummel F, Gruneis A
J Chem Phys
. 2022 Jan;
155(24):244103.
PMID: 34972356
A first-principles study of the adsorption of a single water molecule on a layer of graphitic carbon nitride is reported employing an embedding approach for many-electron correlation methods. To this...
12.
Schafer T, Daelman N, Lopez N
J Phys Chem Lett
. 2021 Jul;
12(27):6277-6283.
PMID: 34212726
Electron transfer with changing occupation in the 4f subshell poses a considerable challenge for quantitative predictions in quantum chemistry. Using the example of cerium oxide, we identify the main deficiencies...
13.
Schafer T, Libisch F, Kresse G, Gruneis A
J Chem Phys
. 2021 Jan;
154(1):011101.
PMID: 33412868
We present an embedding approach to treat local electron correlation effects in periodic environments. In a single consistent framework, our plane wave based scheme embeds a local high-level correlation calculation...
14.
Schafer T, Stankova V, Viebahn C, de Bakker B, Tsikolia N
J Anat
. 2020 Nov;
238(4):1010-1022.
PMID: 33145764
Bilaterally symmetrical primordia of visceral organs undergo asymmetrical morphogenesis leading to typical arrangement of visceral organs in the adult. Asymmetrical morphogenesis within the upper abdomen leads, among others, to the...
15.
Ramberger B, Sukurma Z, Schafer T, Kresse G
J Chem Phys
. 2019 Dec;
151(21):214106.
PMID: 31822086
We present a method to approximate post-Hartree-Fock correlation energies by using approximate natural orbitals obtained by the random phase approximation (RPA). We demonstrate the method by applying it to the...
16.
Bedin M, Boyer O, Servais A, Li Y, Villoing-Gaude L, Tete M, et al.
J Clin Invest
. 2019 Oct;
130(1):335-344.
PMID: 31613795
BACKGROUNDProteinuria is considered an unfavorable clinical condition that accelerates renal and cardiovascular disease. However, it is not clear whether all forms of proteinuria are damaging. Mutations in CUBN cause Imerslund-Gräsbeck...
17.
Koch-Nolte F, Eichhoff A, Pinto-Espinoza C, Schwarz N, Schafer T, Menzel S, et al.
Curr Opin Pharmacol
. 2019 Apr;
47:110-118.
PMID: 30986625
Targeting the P2X7 ion channel, a danger sensor for extracellular nucleotides, improves outcomes in models of inflammation, cancer, and brain-diseases. Antibodies and nanobodies have been developed that antagonize or potentiate...
18.
Patas K, Willing A, Demiralay C, Engler J, Lupu A, Ramien C, et al.
Front Immunol
. 2018 Mar;
9:291.
PMID: 29515587
While a link between inflammation and the development of neuropsychiatric disorders, including major depressive disorder (MDD) is supported by a growing body of evidence, little is known about the contribution...
19.
Schafer T, Ramberger B, Kresse G
J Chem Phys
. 2018 Feb;
148(6):064103.
PMID: 29448777
We present an implementation and analysis of a stochastic high performance algorithm to calculate the correlation energy of three-dimensional periodic systems in second-order Møller-Plesset perturbation theory (MP2). In particular we...
20.
Bokdam M, Lahnsteiner J, Ramberger B, Schafer T, Kresse G
Phys Rev Lett
. 2017 Oct;
119(14):145501.
PMID: 29053325
Which density functional is the "best" for structure simulations of a particular material? A concise, first principles, approach to answer this question is presented. The random phase approximation (RPA)-an accurate...