Andrei L. Tchougreeff

Andrei L. Tchougreeff


Research Focus & Metrics

Academic Career Length

38Years (1989-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

View All Publications
24 February 2016 in Journal of Computational Chemistry
Verified
Journal Article
Open access
PDF file
SMStefan Maintz
Stefan Maintz
VDVolker Deringer
Volker Deringer
ATAndrei L. Tchougreeff
Andrei L. Tchougreeff
Richard DronskowskiRichard Dronskowski
Richard Dronskowski
The computer program LOBSTER (Local Orbital Basis Suite Towards Electronic‐Structure Reconstruction) enables chemical‐bonding analysis based on periodic plane‐wave (PAW) density‐functional theory (DFT) output and is applicable to a wide range of first‐principles simulations in solid‐state and materials chemistry. LOBSTER incorporates analytic projection routines described previously in this very journal [J. Comput. Chem. 2013, 34, 2557] and offers improved functionality. It calculates, among others, atom‐projected densities of states (pDOS), projected crystal orbital Hamilton population (pCOHP) curves, and the recently introduced bond‐weighted distribution function (BWDF). The software is offered free‐of‐charge for non‐commercial research. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

6 May 2011 in The Journal of Physical Chemistry A
Verified
Journal Article
Closed access
VDVolker Deringer
Volker Deringer
ATAndrei L. Tchougreeff
Andrei L. Tchougreeff
Richard DronskowskiRichard Dronskowski
Richard Dronskowski

10 September 2013 in Journal of Computational Chemistry
Verified
Journal Article
Closed access
PDF file
SMStefan Maintz
Stefan Maintz
VDVolker Deringer
Volker Deringer
ATAndrei L. Tchougreeff
Andrei L. Tchougreeff
Richard DronskowskiRichard Dronskowski
Richard Dronskowski

1 January 2009 in International Journal of Quantum Chemistry
Verified
Journal Article
Closed access
PDF file
ATAndrei L. Tchougreeff
Andrei L. Tchougreeff
RDRichard Dronskowski
Richard Dronskowski

1 January 1992 in Theoretical Chemistry Accounts
Verified
Journal Article
Closed access
PDF file
ASA. V. Soudackov
A. V. Soudackov
ATAndrei L. Tchougreeff
Andrei L. Tchougreeff
IMI. A. Misurkin
I. A. Misurkin

1 October 1992 in The Journal of Physical Chemistry
Verified
Journal Article
Closed access
ATAndrei L. Tchougreeff
Andrei L. Tchougreeff
RHRoald Hoffmann
Roald Hoffmann