Erik Deumens : rechercher sur Z-Library

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1

On classical systems and measurements in quantum mechanics

Journal:

Quantum Studies: Mathematics and Foundations

Année:

2019

Langue:

english

Fichier:

PDF, 593 KB

english, 2019

2

[IEEE 2013 IEEE International Symposium on Parallel & Distributed Processing (IPDPS) - Cambridge, MA, USA (2013.05.20-2013.05.24)] 2013 IEEE 27th International Symposium on Parallel and Distributed Processing - SIPMaP: A Tool for Modeling Irregular Parallel Computations in the Super Instruction Architecture

Jindal, Nakul, Lotrich, Victor, Deumens, Erik, Sanders, Beverly A.

Année:

2013

Langue:

english

Fichier:

PDF, 389 KB

english, 2013

3

Application of Quantum Computing to Biochemical Systems: A Look to the Future

Cheng, Hai-Ping, Deumens, Erik, Freericks, James K., Li, Chenglong, Sanders, Beverly A.

Journal:

Frontiers in Chemistry

Année:

2020

Fichier:

PDF, 2.04 MB

2020

4

Bond making and bond breaking in molecular dynamics

Yngve Öhrn, Juan Oreiro, Erik Deumens

Journal:

International Journal of Quantum Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 843 KB

english, 1996

5

Dynamics of molecules and chemical reactions

Journal:

International Journal of Quantum Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 70 KB

english, 1998

6

Book review

Journal:

International Journal of Quantum Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 47 KB

english, 1998

7

Book Review

Journal:

International Journal of Quantum Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 78 KB

english, 1999

8

Selective bond breaking in H+HOD reaction

Mauricio Coutinho-Neto, Erik Deumens, Yngve Öhrn

Journal:

International Journal of Quantum Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 138 KB

english, 2000

9

Book review

Journal:

International Journal of Quantum Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 66 KB

english, 2000

10

Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems

Denis Jacquemin, Benoît Champagne, Jean-Marie André, Erik Deumens, Yngve öhrn

Journal:

Journal of Computational Chemistry

Année:

2002

Langue:

english

Fichier:

PDF, 195 KB

english, 2002

11

A versatile AMBER-Gaussian QM/MM interface through PUPIL

Juan Torras, Gustavo de M. Seabra, Erik Deumens, S. B. Trickey, Adrian E. Roitberg

Journal:

Journal of Computational Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 468 KB

english, 2008

12

Influence of electronic—nuclear coupling on dynamics

Ricardo Longo, Agustín Diz, Erik Deumens, Yngve Öhrn

Journal:

Chemical Physics Letters

Année:

1994

Langue:

english

Fichier:

PDF, 621 KB

english, 1994

13

Molecular vibrational state distributions in collisions

Jorge A. Morales, Agustín C. Diz, Erik Deumens, Yngve Öhrn

Journal:

Chemical Physics Letters

Année:

1995

Langue:

english

Fichier:

PDF, 637 KB

english, 1995

14

Theoretical investigation of energy deposition and electron capture cross-sections for helium ion impact on formaldehyde

R. Cabrera-Trujillo, John R. Sabin, Erik Deumens, Yngve Öhrn

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Année:

2007

Langue:

english

Fichier:

PDF, 173 KB

english, 2007

15

Fragmentation of water on swift 3He2+ ion impact

John R. Sabin, Remigio Cabrerra-Trujillo, Nikolaus Stolterfoht, Erik Deumens, Yngve Öhrn

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Année:

2009

Langue:

english

Fichier:

PDF, 347 KB

english, 2009

16

Book review

Journal:

International Journal of Quantum Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 40 KB

english, 2006

17

OPAL: A multiscale multicenter simulation package based on MPI-2 protocol

Chao Cao, Yun-wen Chen, Yuning Wu, Erik Deumens, Hai-Ping Cheng

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 415 KB

english, 2011

18

Wave packet dynamics on multiply-valued potential surfaces: Report on work in progress

Benjamin Hall, Erik Deumens, Yngve Öhrn, John R. Sabin

Journal:

International Journal of Quantum Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 206 KB

english, 2012

19

Quaternionic quantum mechanics and quantum fields. By Stephen L,. Adler, International Series of Monographs on Physics 88, Oxford University Press, 1995. ISBN 0-19-506643-X

Journal:

International Journal of Quantum Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 85 KB

english, 1996

20

Comment on “a minimal implementation of the AMBER–GAUSSIAN interface for Ab Initio QM/MM-MD simulation”

Benjamin P. Roberts, Gustavo M. Seabra, Adrian E. Roitberg, Kenneth M. Merz, Erik Deumens, Juan Torras, Samuel B. Trickey

Journal:

Journal of Computational Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 715 KB

english, 2012

21

Software design of ACES III with the super instruction architecture

Erik Deumens, Victor F. Lotrich, Ajith Perera, Mark J. Ponton, Beverly A. Sanders, Rodney J. Bartlett

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Année:

2011

Langue:

english

Fichier:

PDF, 131 KB

english, 2011

22

Time-dependent dynamics of a determinantal state

Erik Deumens, Yngve Öhrn

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1989

Langue:

english

Fichier:

PDF, 582 KB

english, 1989

23

Impact parameter dependence of electronic and nuclear energy loss of swift ions: H+→ He and H+→ H

Remigio Cabrera-Trujillo, Erik Deumens, Yngve Öhrn, John R. Sabin

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Année:

2000

Langue:

english

Fichier:

PDF, 247 KB

english, 2000

24

H++H, He, and H2 scattering using a new time-dependent method for electron nuclear dynamics

Longo, Ricardo, Deumens, Erik, Öhrn, Yngve

Journal:

The Journal of Chemical Physics

Année:

1993

Langue:

english

Fichier:

PDF, 1.17 MB

english, 1993

25

Fracture, water dissociation, and proton conduction in SiO[sub 2] nanochains

Cao, Chao, He, Yao, Torras, Juan, Deumens, Erik, Trickey, S. B., Cheng, Hai-Ping

Journal:

The Journal of Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 1016 KB

english, 2007

26

On rotational coherent states in molecular quantum dynamics

Morales, Jorge A., Deumens, Erik, Öhrn, Yngve

Journal:

Journal of Mathematical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 605 KB

english, 1999

27

Spin projection of Fermion coherent states

Weiner, Brian, Deumens, Erik, Öhrn, Yngve

Journal:

Journal of Mathematical Physics

Année:

1991

Langue:

english

Fichier:

PDF, 1.72 MB

english, 1991

28

Complete Electron Nuclear Dynamics

Deumens, Erik, Öhrn, Yngve

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 79 KB

english, 2001

29

Quantum Nuclear Extension of Electron Nuclear Dynamics on Folded Effective-Potential Surfaces

Hall, Benjamin, Deumens, Erik, Öhrn, Yngve, Sabin, John R.

Journal:

Journal of Physical Chemistry A

Année:

2014

Langue:

english

Fichier:

PDF, 3.62 MB

english, 2014

30

[IEEE 2010 SC - International Conference for High Performance Computing, Networking, Storage and Analysis - New Orleans, LA, USA (2010.11.13-2010.11.19)] 2010 ACM/IEEE International Conference for High Performance Computing, Networking, Storage and Analysis - A Block-Oriented Language and Runtime System for Tensor Algebra with Very Large Arrays

Sanders, Beverly A., Bartlett, Rod, Deumens, Erik, Lotrich, Victor, Ponton, Mark

Année:

2010

Langue:

english

Fichier:

PDF, 411 KB

english, 2010

31

Exploiting GPUs with the Super Instruction Architecture

Jindal, Nakul, Lotrich, Victor, Deumens, Erik, Sanders, Beverly A.

Journal:

International Journal of Parallel Programming

Année:

2016

Langue:

english

Fichier:

PDF, 1.12 MB

english, 2016

32

Toward an ab Initio Treatment of the Time-Dependent Schrödinger Equation of Molecular Systems

Öhrn, Yngve, Deumens, Erik

Journal:

Journal of Physical Chemistry A

Année:

1999

Langue:

english

Fichier:

PDF, 62 KB

english, 1999

33

Stopping power of molecules for fast ions

Sabin, John R., Oddershede, Jens, Cabrera-Trujillo, Remigio, Sauer, Stephan P.A., Deumens, Erik, Öhrn, Yngve

Journal:

Molecular Physics

Année:

2010

Langue:

english

Fichier:

PDF, 216 KB

english, 2010

34

Wavefunction phase space An approach to the dynamics of molecular systems

Deumens, Erik, Öhrn, Yngve

Journal:

Journal of the Chemical Society Faraday Transactions

Année:

1997

Langue:

english

Fichier:

PDF, 451 KB

english, 1997

35

Electron nuclear dynamics of charge-transfer collisions of protons with atomic oxygen

Hedström, Magnus, Deumens, Erik, Öhrn, Yngve

Journal:

Physical Review A

Année:

1998

Langue:

english

Fichier:

PDF, 133 KB

english, 1998

36

Nonadiabatic effects in the pseudorotational motion of triatomic molecules

Hagelberg, Frank, Deumens, Erik

Journal:

Physical Review A

Année:

2002

Langue:

english

Fichier:

PDF, 199 KB

english, 2002

37

Stopping of swift antiprotons by hydrogen atoms and the Barkas correction

Cabrera-Trujillo, Remigio, Sabin, John R., Öhrn, Yngve, Deumens, Erik

Journal:

Physical Review A

Année:

2005

Langue:

english

Fichier:

PDF, 82 KB

english, 2005

38

A model for electron nuclear dynamics of a monatomic chain

Calais, Jean-Louis, Deumens, Erik, Öhrn, Yngve

Journal:

The Journal of Chemical Physics

Année:

1994

Langue:

english

Fichier:

PDF, 1.23 MB

english, 1994

39

Prediction of the energy dependence of molecular fragmentation cross sections for collisions of swift protons with ethane and acetylene

Cabrera-Trujillo, Remigio, Sabin, John R., Deumens, Erik, Öhrn, Yngve

Journal:

Physical Review A

Année:

2005

Langue:

english

Fichier:

PDF, 45 KB

english, 2005

40

Abstraction and exchange mechanisms for the D[sub 2]+NH[sub 3][sup +] reaction at hyperthermal collision energies

Coutinho-Neto, Maurı́cio, Deumens, Erik, Öhrn, Yngve

Journal:

The Journal of Chemical Physics

Année:

2002

Langue:

english

Fichier:

PDF, 700 KB

english, 2002

41

Time-dependent dynamics of electrons and nuclei

Deumens, Erik, Diz, Agustin, Taylor, Hugh, Öhrn, Yngve

Journal:

The Journal of Chemical Physics

Année:

1992

Langue:

english

Fichier:

PDF, 1.32 MB

english, 1992

42

Rovibrational analysis of molecular collisions using coherent states

Blass, Anatol, Deumens, Erik, Öhrn, Yngve

Journal:

The Journal of Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 329 KB

english, 2001

43

Dynamics of electrons and nuclei

Deumens, Erik, Öhrn, Yngve

Journal:

Molecular Physics

Année:

2010

Langue:

english

Fichier:

PDF, 77 KB

english, 2010

44

at low projectile velocity

Cabrera-Trujillo, Remigio, Sabin, John R., Deumens, Erik, Öhrn, Yngve

Journal:

Physical Review A

Année:

2002

Langue:

english

Fichier:

PDF, 134 KB

english, 2002

45

[ACM Press the 23rd international conference - New York, NY, USA (2009.06.08-2009.06.12)] Proceedings of the 23rd international conference on Conference on Supercomputing - ICS '09 - An infrastructure for scalable and portable parallel programs for computational chemistry

Lotrich, Victor, Flocke, Norbert, Ponton, Mark, Sanders, Beverly A., Deumens, Erik, Bartlett, Rodney J., Perera, Ajith

Année:

2009

Langue:

english

Fichier:

PDF, 303 KB

english, 2009

46

[AIP Computational Methods in Science and Engineering - ()] AIP Conference Proceedings - Directional Aspects of Swift Ion Stopping in a Proto-Biological Molecule: Formaldehyde

Sabin, John R., Trujillo, Remigio Cabrera, Chadderton, L.T., Öhrn, N. Yngve, Deumens, Erik, Maroulis, George, Simos, Theodore E.

Année:

2007

Langue:

english

Fichier:

PDF, 1.80 MB

english, 2007

47

[Advances in Quantum Chemistry] Volume 35 || Teaching Quantum Mechanics

Année:

1999

Langue:

english

Fichier:

PDF, 1.31 MB

english, 1999

48

Charge exchange collisions of slow C6+ with atomic and molecular H

Saha, Bidhan C., Guevara, Nicolais L., Sabin, John R., Deumens, Erik, Öhrn, Yngve

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Année:

2016

Langue:

english

Fichier:

PDF, 471 KB

english, 2016