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A differential pumping system to deliver windowless VUV photons at atmospheric pressure.

Journal of synchrotron radiation

Giuliani A, Yao I, Lagarde B, Rey S, Duval JP, Rommeluere P, Jamme F, Rouam V, Wein F, De Oliveira C, Ros M, Lestrade A, Desjardins K, Giorgetta JL, Laprevote O, Herbaux C, Refregiers M.
PMID: 21685669
J Synchrotron Radiat. 2011 Jul;18:546-9. doi: 10.1107/S0909049511016517. Epub 2011 May 19.

In order to deliver VUV (vacuum ultraviolet) photons under atmospheric pressure conditions, a differential pumping system has been built on the DISCO beamline at the SOLEIL synchrotron radiation facility. The system is made of four stages and is 840...

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Giuliani A, Yao I, Lagarde B, et al. A differential pumping system to deliver windowless VUV photons at atmospheric pressure. J Synchrotron Radiat. 2011;18:546-9doi: 10.1107/S0909049511016517.
Giuliani, A., Yao, I., Lagarde, B., Rey, S., Duval, J. P., Rommeluere, P., Jamme, F., Rouam, V., Wein, F., De Oliveira, C., Ros, M., Lestrade, A., Desjardins, K., Giorgetta, J. L., Laprevote, O., Herbaux, C., & Refregiers, M. (2011). A differential pumping system to deliver windowless VUV photons at atmospheric pressure. Journal of synchrotron radiation, 18546-9. https://doi.org/10.1107/S0909049511016517
Giuliani, Alexandre, et al. "A differential pumping system to deliver windowless VUV photons at atmospheric pressure." Journal of synchrotron radiation vol. 18 (2011): 546-9. doi: https://doi.org/10.1107/S0909049511016517
Giuliani A, Yao I, Lagarde B, Rey S, Duval JP, Rommeluere P, Jamme F, Rouam V, Wein F, De Oliveira C, Ros M, Lestrade A, Desjardins K, Giorgetta JL, Laprevote O, Herbaux C, Refregiers M. A differential pumping system to deliver windowless VUV photons at atmospheric pressure. J Synchrotron Radiat. 2011 Jul;18:546-9. doi: 10.1107/S0909049511016517. Epub 2011 May 19. PMID: 21685669.
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Reactions with 40Ar and 84Kr leading to the same compound nucleus, 200Po.

Physical review. C, Nuclear physics

Guidry MW, Hahn RL, Lagarde B, LeBeyec Y, Toth KS.
PMID: 9954327
Phys Rev C Nucl Phys. 1987 Nov;36(5):2132-2135. doi: 10.1103/physrevc.36.2132.

No abstract available.

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Guidry MW, Hahn RL, Lagarde B, et al. Reactions with 40Ar and 84Kr leading to the same compound nucleus, 200Po. Phys Rev C Nucl Phys. 1987;36(5):2132-2135doi: 10.1103/physrevc.36.2132.
Guidry, M. W., Hahn, R. L., Lagarde, B., LeBeyec, Y., & Toth, K. S. (1987). Reactions with 40Ar and 84Kr leading to the same compound nucleus, 200Po. Physical review. C, Nuclear physics, 36(5), 2132-2135. https://doi.org/10.1103/physrevc.36.2132
Guidry, et al. "Reactions with 40Ar and 84Kr leading to the same compound nucleus, 200Po." Physical review. C, Nuclear physics vol. 36,5 (1987): 2132-2135. doi: https://doi.org/10.1103/physrevc.36.2132
Guidry MW, Hahn RL, Lagarde B, LeBeyec Y, Toth KS. Reactions with 40Ar and 84Kr leading to the same compound nucleus, 200Po. Phys Rev C Nucl Phys. 1987 Nov;36(5):2132-2135. doi: 10.1103/physrevc.36.2132. PMID: 9954327.
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Tinker 8: Software Tools for Molecular Design.

Journal of chemical theory and computation

Rackers JA, Wang Z, Lu C, Laury ML, Lagardère L, Schnieders MJ, Piquemal JP, Ren P, Ponder JW.
PMID: 30176213
J Chem Theory Comput. 2018 Oct 09;14(10):5273-5289. doi: 10.1021/acs.jctc.8b00529. Epub 2018 Sep 19.

The Tinker software, currently released as version 8, is a modular molecular mechanics and dynamics package written primarily in a standard, easily portable dialect of Fortran 95 with OpenMP extensions. It supports a wide variety of force fields, including...

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Rackers JA, Wang Z, Lu C, et al. Tinker 8: Software Tools for Molecular Design. J Chem Theory Comput. 2018;14(10):5273-5289doi: 10.1021/acs.jctc.8b00529.
Rackers, J. A., Wang, Z., Lu, C., Laury, M. L., Lagardère, L., Schnieders, M. J., Piquemal, J. P., Ren, P., & Ponder, J. W. (2018). Tinker 8: Software Tools for Molecular Design. Journal of chemical theory and computation, 14(10), 5273-5289. https://doi.org/10.1021/acs.jctc.8b00529
Rackers, Joshua A, et al. "Tinker 8: Software Tools for Molecular Design." Journal of chemical theory and computation vol. 14,10 (2018): 5273-5289. doi: https://doi.org/10.1021/acs.jctc.8b00529
Rackers JA, Wang Z, Lu C, Laury ML, Lagardère L, Schnieders MJ, Piquemal JP, Ren P, Ponder JW. Tinker 8: Software Tools for Molecular Design. J Chem Theory Comput. 2018 Oct 09;14(10):5273-5289. doi: 10.1021/acs.jctc.8b00529. Epub 2018 Sep 19. PMID: 30176213; PMCID: PMC6335969.
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Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-HP: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems.

Journal of chemical theory and computation

Célerse F, Lagardère L, Derat E, Piquemal JP.
PMID: 31059250
J Chem Theory Comput. 2019 Jun 11;15(6):3694-3709. doi: 10.1021/acs.jctc.9b00199. Epub 2019 May 17.

Steered molecular dynamic (SMD) is a powerful technique able to accelerate rare event sampling in Molecular Dynamics (MD) simulations by applying an external force to a set of chosen atoms. Despite generating nonequilibrium simulations, SMD remains capable of reconstructing...

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Célerse F, Lagardère L, Derat E, et al. Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-HP: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems. J Chem Theory Comput. 2019;15(6):3694-3709doi: 10.1021/acs.jctc.9b00199.
Célerse, F., Lagardère, L., Derat, E., & Piquemal, J. P. (2019). Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-HP: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems. Journal of chemical theory and computation, 15(6), 3694-3709. https://doi.org/10.1021/acs.jctc.9b00199
Célerse, Frédéric, et al. "Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-HP: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems." Journal of chemical theory and computation vol. 15,6 (2019): 3694-3709. doi: https://doi.org/10.1021/acs.jctc.9b00199
Célerse F, Lagardère L, Derat E, Piquemal JP. Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-HP: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems. J Chem Theory Comput. 2019 Jun 11;15(6):3694-3709. doi: 10.1021/acs.jctc.9b00199. Epub 2019 May 17. PMID: 31059250.
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Time resolved transient circular dichroism spectroscopy using synchrotron natural polarization.

Structural dynamics (Melville, N.Y.)

Auvray F, Dennetiere D, Giuliani A, Jamme F, Wien F, Nay B, Zirah S, Polack F, Menneglier C, Lagarde B, Hirst JD, Réfrégiers M.
PMID: 31700943
Struct Dyn. 2019 Oct 31;6(5):054307. doi: 10.1063/1.5120346. eCollection 2019 Sep.

Ultraviolet (UV) synchrotron radiation circular dichroism (SRCD) spectroscopy has made an important contribution to the determination and understanding of the structure of bio-molecules. In this paper, we report an innovative approach that we term time-resolved SRCD (tr-SRCD), which overcomes...

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Auvray F, Dennetiere D, Giuliani A, et al. Time resolved transient circular dichroism spectroscopy using synchrotron natural polarization. Struct Dyn. 2019;6(5):054307doi: 10.1063/1.5120346.
Auvray, F., Dennetiere, D., Giuliani, A., Jamme, F., Wien, F., Nay, B., Zirah, S., Polack, F., Menneglier, C., Lagarde, B., Hirst, J. D., & Réfrégiers, M. (2019). Time resolved transient circular dichroism spectroscopy using synchrotron natural polarization. Structural dynamics (Melville, N.Y.), 6(5), 054307. https://doi.org/10.1063/1.5120346
Auvray, François, et al. "Time resolved transient circular dichroism spectroscopy using synchrotron natural polarization." Structural dynamics (Melville, N.Y.) vol. 6,5 (2019): 054307. doi: https://doi.org/10.1063/1.5120346
Auvray F, Dennetiere D, Giuliani A, Jamme F, Wien F, Nay B, Zirah S, Polack F, Menneglier C, Lagarde B, Hirst JD, Réfrégiers M. Time resolved transient circular dichroism spectroscopy using synchrotron natural polarization. Struct Dyn. 2019 Oct 31;6(5):054307. doi: 10.1063/1.5120346. eCollection 2019 Sep. PMID: 31700943; PMCID: PMC6823104.
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[Child to child].

Hygie

Dumurgier E, Lagardère B, Michon L.
PMID: 2960602
Hygie. 1987 Sep;6(3):33-7.

The story of a seven year-old handicapped girl, unhappy and isolated, who--with the help of school children from her village, one in particular who was also disabled--can now go to school and become increasingly autonomous, provides a better understanding...

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Dumurgier E, Lagardère B, Michon L. L'enfant pour l'enfant. [Child to child]. Hygie. 1987;6(3):33-7
Dumurgier, E., Lagardère, B., & Michon, L. (1987). L'enfant pour l'enfant. [Child to child]. Hygie, 6(3), 33-7.
Dumurgier, E, et al. "L'enfant pour l'enfant." [Child to child]. Hygie vol. 6,3 (1987): 33-7.
Dumurgier E, Lagardère B, Michon L. L'enfant pour l'enfant. [Child to child]. Hygie. 1987 Sep;6(3):33-7. French. PMID: 2960602.
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Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings.

Chemical science

Loco D, Lagardère L, Cisneros GA, Scalmani G, Frisch M, Lipparini F, Mennucci B, Piquemal JP.
PMID: 31588288
Chem Sci. 2019 Jun 11;10(30):7200-7211. doi: 10.1039/c9sc01745c. eCollection 2019 Aug 14.

In this work, we present a general route to hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Molecular Dynamics for complex systems using a polarizable embedding. We extend the capabilities of our hybrid framework, combining the Gaussian and Tinker/Tinker-HP packages in the...

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Loco D, Lagardère L, Cisneros GA, et al. Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings. Chem Sci. 2019;10(30):7200-7211doi: 10.1039/c9sc01745c.
Loco, D., Lagardère, L., Cisneros, G. A., Scalmani, G., Frisch, M., Lipparini, F., Mennucci, B., & Piquemal, J. P. (2019). Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings. Chemical science, 10(30), 7200-7211. https://doi.org/10.1039/c9sc01745c
Loco, Daniele, et al. "Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings." Chemical science vol. 10,30 (2019): 7200-7211. doi: https://doi.org/10.1039/c9sc01745c
Loco D, Lagardère L, Cisneros GA, Scalmani G, Frisch M, Lipparini F, Mennucci B, Piquemal JP. Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings. Chem Sci. 2019 Jun 11;10(30):7200-7211. doi: 10.1039/c9sc01745c. eCollection 2019 Aug 14. PMID: 31588288; PMCID: PMC6677116.
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Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields.

Chemical science

Lagardère L, Jolly LH, Lipparini F, Aviat F, Stamm B, Jing ZF, Harger M, Torabifard H, Cisneros GA, Schnieders MJ, Gresh N, Maday Y, Ren PY, Ponder JW, Piquemal JP.
PMID: 29732110
Chem Sci. 2017 Nov 27;9(4):956-972. doi: 10.1039/c7sc04531j. eCollection 2018 Jan 28.

We present Tinker-HP, a massively MPI parallel package dedicated to classical molecular dynamics (MD) and to multiscale simulations, using advanced polarizable force fields (PFF) encompassing distributed multipoles electrostatics. Tinker-HP is an evolution of the popular Tinker package code that...

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Lagardère L, Jolly LH, Lipparini F, et al. Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields. Chem Sci. 2017;9(4):956-972doi: 10.1039/c7sc04531j.
Lagardère, L., Jolly, L. H., Lipparini, F., Aviat, F., Stamm, B., Jing, Z. F., Harger, M., Torabifard, H., Cisneros, G. A., Schnieders, M. J., Gresh, N., Maday, Y., Ren, P. Y., Ponder, J. W., & Piquemal, J. P. (2018). Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields. Chemical science, 9(4), 956-972. https://doi.org/10.1039/c7sc04531j
Lagardère, Louis, et al. "Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields." Chemical science vol. 9,4 (2018): 956-972. doi: https://doi.org/10.1039/c7sc04531j
Lagardère L, Jolly LH, Lipparini F, Aviat F, Stamm B, Jing ZF, Harger M, Torabifard H, Cisneros GA, Schnieders MJ, Gresh N, Maday Y, Ren PY, Ponder JW, Piquemal JP. Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields. Chem Sci. 2017 Nov 27;9(4):956-972. doi: 10.1039/c7sc04531j. eCollection 2018 Jan 28. PMID: 29732110; PMCID: PMC5909332.
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A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-terms.

The Journal of chemical physics

Stamm B, Lagardère L, Polack É, Maday Y, Piquemal JP.
PMID: 30278683
J Chem Phys. 2018 Sep 28;149(12):124103. doi: 10.1063/1.5044541.

In this work, we provide the mathematical elements we think essential for a proper understanding of the calculus of the electrostatic energy of point-multipoles of arbitrary order under periodic boundary conditions. The emphasis is put on the expressions of...

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Stamm B, Lagardère L, Polack É, et al. A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-terms. J Chem Phys. 2018;149(12):124103doi: 10.1063/1.5044541.
Stamm, B., Lagardère, L., Polack, �. �., Maday, Y., & Piquemal, J. P. (2018). A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-terms. The Journal of chemical physics, 149(12), 124103. https://doi.org/10.1063/1.5044541
Stamm, Benjamin, et al. "A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-terms." The Journal of chemical physics vol. 149,12 (2018): 124103. doi: https://doi.org/10.1063/1.5044541
Stamm B, Lagardère L, Polack É, Maday Y, Piquemal JP. A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-terms. J Chem Phys. 2018 Sep 28;149(12):124103. doi: 10.1063/1.5044541. PMID: 30278683.
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DEIMOS: a beamline dedicated to dichroism measurements in the 350-2500 eV energy range.

The Review of scientific instruments

Ohresser P, Otero E, Choueikani F, Chen K, Stanescu S, Deschamps F, Moreno T, Polack F, Lagarde B, Daguerre JP, Marteau F, Scheurer F, Joly L, Kappler JP, Muller B, Bunau O, Sainctavit P.
PMID: 24517744
Rev Sci Instrum. 2014 Jan;85(1):013106. doi: 10.1063/1.4861191.

The DEIMOS (Dichroism Experimental Installation for Magneto-Optical Spectroscopy) beamline was part of the second phase of the beamline development at French Synchrotron SOLEIL (Source Optimisée de Lumière à Energie Intermédiaire du LURE) and opened to users in March 2011....

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Ohresser P, Otero E, Choueikani F, et al. DEIMOS: a beamline dedicated to dichroism measurements in the 350-2500 eV energy range. Rev Sci Instrum. 2014;85(1):013106doi: 10.1063/1.4861191.
Ohresser, P., Otero, E., Choueikani, F., Chen, K., Stanescu, S., Deschamps, F., Moreno, T., Polack, F., Lagarde, B., Daguerre, J. P., Marteau, F., Scheurer, F., Joly, L., Kappler, J. P., Muller, B., Bunau, O., & Sainctavit, P. (2014). DEIMOS: a beamline dedicated to dichroism measurements in the 350-2500 eV energy range. The Review of scientific instruments, 85(1), 013106. https://doi.org/10.1063/1.4861191
Ohresser, P, et al. "DEIMOS: a beamline dedicated to dichroism measurements in the 350-2500 eV energy range." The Review of scientific instruments vol. 85,1 (2014): 013106. doi: https://doi.org/10.1063/1.4861191
Ohresser P, Otero E, Choueikani F, Chen K, Stanescu S, Deschamps F, Moreno T, Polack F, Lagarde B, Daguerre JP, Marteau F, Scheurer F, Joly L, Kappler JP, Muller B, Bunau O, Sainctavit P. DEIMOS: a beamline dedicated to dichroism measurements in the 350-2500 eV energy range. Rev Sci Instrum. 2014 Jan;85(1):013106. doi: 10.1063/1.4861191. PMID: 24517744.
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Carbon contamination of soft X-ray beamlines: dramatic anti-reflection coating effects observed in the 1 keV photon energy region.

Journal of synchrotron radiation

Chauvet C, Polack F, Silly MG, Lagarde B, Thomasset M, Kubsky S, Duval JP, Risterucci P, Pilette B, Yao I, Bergeard N, Sirotti F.
PMID: 21862857
J Synchrotron Radiat. 2011 Sep;18:761-4. doi: 10.1107/S0909049511023119. Epub 2011 Jul 08.

Carbon contamination is a general problem of under-vacuum optics submitted to high fluence. In soft X-ray beamlines carbon deposit on optics is known to absorb and scatter radiation close to the C K-edge (280 eV), forbidding effective measurements in...

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Chauvet C, Polack F, Silly MG, et al. Carbon contamination of soft X-ray beamlines: dramatic anti-reflection coating effects observed in the 1 keV photon energy region. J Synchrotron Radiat. 2011;18:761-4doi: 10.1107/S0909049511023119.
Chauvet, C., Polack, F., Silly, M. G., Lagarde, B., Thomasset, M., Kubsky, S., Duval, J. P., Risterucci, P., Pilette, B., Yao, I., Bergeard, N., & Sirotti, F. (2011). Carbon contamination of soft X-ray beamlines: dramatic anti-reflection coating effects observed in the 1 keV photon energy region. Journal of synchrotron radiation, 18761-4. https://doi.org/10.1107/S0909049511023119
Chauvet, C, et al. "Carbon contamination of soft X-ray beamlines: dramatic anti-reflection coating effects observed in the 1 keV photon energy region." Journal of synchrotron radiation vol. 18 (2011): 761-4. doi: https://doi.org/10.1107/S0909049511023119
Chauvet C, Polack F, Silly MG, Lagarde B, Thomasset M, Kubsky S, Duval JP, Risterucci P, Pilette B, Yao I, Bergeard N, Sirotti F. Carbon contamination of soft X-ray beamlines: dramatic anti-reflection coating effects observed in the 1 keV photon energy region. J Synchrotron Radiat. 2011 Sep;18:761-4. doi: 10.1107/S0909049511023119. Epub 2011 Jul 08. PMID: 21862857.
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Optimization strategies for XUV monochromators.

Journal of synchrotron radiation

Polack F, Delcamp E, Lagarde B, Mirone A.
PMID: 15263631
J Synchrotron Radiat. 1998 May 01;5:719-22. doi: 10.1107/S0909049597018669. Epub 1998 May 01.

The techniques of monochromator optimization are reviewed, and it is shown that until recently only a few of the available parameters were used at the same time. Efficient optimization can be performed numerically. The computation method developed at LURE...

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Polack F, Delcamp E, Lagarde B, et al. Optimization strategies for XUV monochromators. J Synchrotron Radiat. 1998;5:719-22doi: 10.1107/S0909049597018669.
Polack, F., Delcamp, E., Lagarde, B., & Mirone, A. (1998). Optimization strategies for XUV monochromators. Journal of synchrotron radiation, 5719-22. https://doi.org/10.1107/S0909049597018669
Polack, F, et al. "Optimization strategies for XUV monochromators." Journal of synchrotron radiation vol. 5 (1998): 719-22. doi: https://doi.org/10.1107/S0909049597018669
Polack F, Delcamp E, Lagarde B, Mirone A. Optimization strategies for XUV monochromators. J Synchrotron Radiat. 1998 May 01;5:719-22. doi: 10.1107/S0909049597018669. Epub 1998 May 01. PMID: 15263631.
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Showing 1 to 12 of 38 entries