These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

765 related articles for article (PubMed ID: 34470363)

  • 21. New algorithms for iterative matrix-free eigensolvers in quantum chemistry.
    Zuev D; Vecharynski E; Yang C; Orms N; Krylov AI
    J Comput Chem; 2015 Feb; 36(5):273-84. PubMed ID: 25470492
    [TBL] [Abstract][Full Text] [Related]  

  • 22. The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.
    Lischka H; Shepard R; Müller T; Szalay PG; Pitzer RM; Aquino AJA; Araújo do Nascimento MM; Barbatti M; Belcher LT; Blaudeau JP; Borges I; Brozell SR; Carter EA; Das A; Gidofalvi G; González L; Hase WL; Kedziora G; Kertesz M; Kossoski F; Machado FBC; Matsika S; do Monte SA; Nachtigallová D; Nieman R; Oppel M; Parish CA; Plasser F; Spada RFK; Stahlberg EA; Ventura E; Yarkony DR; Zhang Z
    J Chem Phys; 2020 Apr; 152(13):134110. PubMed ID: 32268762
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Reduced-Scaling Correlation Methods for the Excited States of Large Molecules: Implementation and Benchmarks for the Second-Order Algebraic-Diagrammatic Construction Approach.
    Mester D; Nagy PR; Kállay M
    J Chem Theory Comput; 2019 Nov; 15(11):6111-6126. PubMed ID: 31553611
    [TBL] [Abstract][Full Text] [Related]  

  • 24. The ONETEP linear-scaling density functional theory program.
    Prentice JCA; Aarons J; Womack JC; Allen AEA; Andrinopoulos L; Anton L; Bell RA; Bhandari A; Bramley GA; Charlton RJ; Clements RJ; Cole DJ; Constantinescu G; Corsetti F; Dubois SM; Duff KKB; Escartín JM; Greco A; Hill Q; Lee LP; Linscott E; O'Regan DD; Phipps MJS; Ratcliff LE; Serrano ÁR; Tait EW; Teobaldi G; Vitale V; Yeung N; Zuehlsdorff TJ; Dziedzic J; Haynes PD; Hine NDM; Mostofi AA; Payne MC; Skylaris CK
    J Chem Phys; 2020 May; 152(17):174111. PubMed ID: 32384832
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Do Practical Standard Coupled Cluster Calculations Agree Better than Kohn-Sham Calculations with Currently Available Functionals When Compared to the Best Available Experimental Data for Dissociation Energies of Bonds to 3d Transition Metals?
    Xu X; Zhang W; Tang M; Truhlar DG
    J Chem Theory Comput; 2015 May; 11(5):2036-52. PubMed ID: 26574408
    [TBL] [Abstract][Full Text] [Related]  

  • 26. QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.
    Kim J; Baczewski AT; Beaudet TD; Benali A; Bennett MC; Berrill MA; Blunt NS; Borda EJL; Casula M; Ceperley DM; Chiesa S; Clark BK; Clay RC; Delaney KT; Dewing M; Esler KP; Hao H; Heinonen O; Kent PRC; Krogel JT; Kylänpää I; Li YW; Lopez MG; Luo Y; Malone FD; Martin RM; Mathuriya A; McMinis J; Melton CA; Mitas L; Morales MA; Neuscamman E; Parker WD; Pineda Flores SD; Romero NA; Rubenstein BM; Shea JAR; Shin H; Shulenburger L; Tillack AF; Townsend JP; Tubman NM; Van Der Goetz B; Vincent JE; Yang DC; Yang Y; Zhang S; Zhao L
    J Phys Condens Matter; 2018 May; 30(19):195901. PubMed ID: 29582782
    [TBL] [Abstract][Full Text] [Related]  

  • 27. The Ettention software package.
    Dahmen T; Marsalek L; Marniok N; Turoňová B; Bogachev S; Trampert P; Nickels S; Slusallek P
    Ultramicroscopy; 2016 Feb; 161():110-118. PubMed ID: 26686659
    [TBL] [Abstract][Full Text] [Related]  

  • 28. PyCI: A Python-scriptable library for arbitrary determinant CI.
    Richer M; Sánchez-Díaz G; Martínez-González M; Chuiko V; Kim TD; Tehrani A; Wang S; Gaikwad PB; de Moura CEV; Masschelein C; Miranda-Quintana RA; Gerolin A; Heidar-Zadeh F; Ayers PW
    J Chem Phys; 2024 Oct; 161(13):. PubMed ID: 39365017
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Molecular Quantum Dynamics: A Quantum Computing Perspective.
    Ollitrault PJ; Miessen A; Tavernelli I
    Acc Chem Res; 2021 Dec; 54(23):4229-4238. PubMed ID: 34787398
    [TBL] [Abstract][Full Text] [Related]  

  • 30. OpenMolcas: From Source Code to Insight.
    Fdez Galván I; Vacher M; Alavi A; Angeli C; Aquilante F; Autschbach J; Bao JJ; Bokarev SI; Bogdanov NA; Carlson RK; Chibotaru LF; Creutzberg J; Dattani N; Delcey MG; Dong SS; Dreuw A; Freitag L; Frutos LM; Gagliardi L; Gendron F; Giussani A; González L; Grell G; Guo M; Hoyer CE; Johansson M; Keller S; Knecht S; Kovačević G; Källman E; Li Manni G; Lundberg M; Ma Y; Mai S; Malhado JP; Malmqvist PÅ; Marquetand P; Mewes SA; Norell J; Olivucci M; Oppel M; Phung QM; Pierloot K; Plasser F; Reiher M; Sand AM; Schapiro I; Sharma P; Stein CJ; Sørensen LK; Truhlar DG; Ugandi M; Ungur L; Valentini A; Vancoillie S; Veryazov V; Weser O; Wesołowski TA; Widmark PO; Wouters S; Zech A; Zobel JP; Lindh R
    J Chem Theory Comput; 2019 Nov; 15(11):5925-5964. PubMed ID: 31509407
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
    Aquilante F; Autschbach J; Carlson RK; Chibotaru LF; Delcey MG; De Vico L; Fdez Galván I; Ferré N; Frutos LM; Gagliardi L; Garavelli M; Giussani A; Hoyer CE; Li Manni G; Lischka H; Ma D; Malmqvist PÅ; Müller T; Nenov A; Olivucci M; Pedersen TB; Peng D; Plasser F; Pritchard B; Reiher M; Rivalta I; Schapiro I; Segarra-Martí J; Stenrup M; Truhlar DG; Ungur L; Valentini A; Vancoillie S; Veryazov V; Vysotskiy VP; Weingart O; Zapata F; Lindh R
    J Comput Chem; 2016 Feb; 37(5):506-41. PubMed ID: 26561362
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Open source software in quantum computing.
    Fingerhuth M; Babej T; Wittek P
    PLoS One; 2018; 13(12):e0208561. PubMed ID: 30571700
    [TBL] [Abstract][Full Text] [Related]  

  • 33. iSPECTRON: A simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software.
    Segatta F; Nenov A; Nascimento DR; Govind N; Mukamel S; Garavelli M
    J Comput Chem; 2021 Apr; 42(9):644-659. PubMed ID: 33556195
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Relativistic Density Functional Calculations of Hyperfine Coupling with Variational versus Perturbational Treatment of Spin-Orbit Coupling.
    Verma P; Autschbach J
    J Chem Theory Comput; 2013 Apr; 9(4):1932-48. PubMed ID: 26583544
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Spin-vibronic quantum dynamics for ultrafast excited-state processes.
    Eng J; Gourlaouen C; Gindensperger E; Daniel C
    Acc Chem Res; 2015 Mar; 48(3):809-17. PubMed ID: 25647179
    [TBL] [Abstract][Full Text] [Related]  

  • 36. The CECAM electronic structure library and the modular software development paradigm.
    Oliveira MJT; Papior N; Pouillon Y; Blum V; Artacho E; Caliste D; Corsetti F; de Gironcoli S; Elena AM; García A; García-Suárez VM; Genovese L; Huhn WP; Huhs G; Kokott S; Küçükbenli E; Larsen AH; Lazzaro A; Lebedeva IV; Li Y; López-Durán D; López-Tarifa P; Lüders M; Marques MAL; Minar J; Mohr S; Mostofi AA; O'Cais A; Payne MC; Ruh T; Smith DGA; Soler JM; Strubbe DA; Tancogne-Dejean N; Tildesley D; Torrent M; Yu VW
    J Chem Phys; 2020 Jul; 153(2):024117. PubMed ID: 32668924
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Second-Order Multireference Algebraic Diagrammatic Construction Theory for Photoelectron Spectra of Strongly Correlated Systems.
    Chatterjee K; Sokolov AY
    J Chem Theory Comput; 2019 Nov; 15(11):5908-5924. PubMed ID: 31509706
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Energy decomposition analysis approaches and their evaluation on prototypical protein-drug interaction patterns.
    Phipps MJ; Fox T; Tautermann CS; Skylaris CK
    Chem Soc Rev; 2015 May; 44(10):3177-211. PubMed ID: 25811943
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design.
    Phipps MJ; Fox T; Tautermann CS; Skylaris CK
    J Chem Theory Comput; 2016 Jul; 12(7):3135-48. PubMed ID: 27248370
    [TBL] [Abstract][Full Text] [Related]  

  • 40. WGCNA: an R package for weighted correlation network analysis.
    Langfelder P; Horvath S
    BMC Bioinformatics; 2008 Dec; 9():559. PubMed ID: 19114008
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 39.