Eric Schwegler - Publications

Affiliations: 
Lawrence Livermore National Laboratory, Livermore, CA, United States 

122 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2017 Pham TA, Govoni M, Seidel R, Bradforth SE, Schwegler E, Galli G. Electronic structure of aqueous solutions: Bridging the gap between theory and experiments. Science Advances. 3: e1603210. PMID 28691091 DOI: 10.1126/sciadv.1603210  0.48
2017 Ogitsu T, Lordi V, Schwegler E, Widom M. Comment on "New Ground-State Crystal Structure of Elemental Boron". Physical Review Letters. 118: 159601. PMID 28452521 DOI: 10.1103/PhysRevLett.118.159601  0.32
2016 Pham TA, Ogitsu T, Lau EY, Schwegler E. Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations. The Journal of Chemical Physics. 145: 154501. PMID 27782470 DOI: 10.1063/1.4964865  0.32
2016 Goliaei A, Lau EY, Adhikari U, Schwegler E, Berkowitz ML. Behavior of P85 and P188 Poloxamer Molecules: Computer Simulations Using United Atom Force Field. The Journal of Physical Chemistry. B. PMID 27232763 DOI: 10.1021/acs.jpcb.6b03030  0.48
2016 Samanta A, Morales MA, Schwegler E. Exploring the free energy surface using ab initio molecular dynamics. The Journal of Chemical Physics. 144: 164101. PMID 27131525 DOI: 10.1063/1.4945653  0.48
2016 Lau EY, Berkowitz ML, Schwegler E. Shock Wave-Induced Damage of a Protein by Void Collapse. Biophysical Journal. 110: 147-156. PMID 26745418 DOI: 10.1016/j.bpj.2015.11.030  0.48
2015 Choi WI, Wood BC, Schwegler E, Ogitsu T. Combinatorial Search for High-Activity Hydrogen Catalysts Based on Transition-Metal-Embedded Graphitic Carbons Advanced Energy Materials. 5. DOI: 10.1002/aenm.201501423  0.48
2014 Pham TA, Lee D, Schwegler E, Galli G. Interfacial effects on the band edges of functionalized si surfaces in liquid water. Journal of the American Chemical Society. 136: 17071-7. PMID 25402590 DOI: 10.1021/ja5079865  0.48
2014 Benedict LX, Driver KP, Hamel S, Militzer B, Qi T, Correa AA, Saul A, Schwegler E. Multiphase equation of state for carbon addressing high pressures and temperatures Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.224109  0.48
2014 Pham TA, Zhang C, Schwegler E, Galli G. Probing the electronic structure of liquid water with many-body perturbation theory Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.060202  0.48
2014 Lee D, Schwegler E, Kanai Y. Dependence of water dynamics on molecular adsorbates near hydrophobic surfaces: First-principles molecular dynamics study Journal of Physical Chemistry C. 118: 8508-8513. DOI: 10.1021/jp502850k  0.48
2014 Huang P, Pham TA, Galli G, Schwegler E. Alumina(0001)/water interface: Structural properties and infrared spectra from first-principles molecular dynamics simulations Journal of Physical Chemistry C. 118: 8944-8951. DOI: 10.1021/jp4123002  0.48
2014 Wood BC, Schwegler E, Choi WI, Ogitsu T. Surface chemistry of GaP(001) and InP(001) in contact with water Journal of Physical Chemistry C. 118: 1062-1070. DOI: 10.1021/jp4098843  0.48
2013 Wood BC, Schwegler E, Choi WI, Ogitsu T. Hydrogen-bond dynamics of water at the interface with InP/GaP(001) and the implications for photoelectrochemistry. Journal of the American Chemical Society. 135: 15774-83. PMID 24053479 DOI: 10.1021/ja403850s  0.32
2013 Ogitsu T, Schwegler E, Galli G. β-Rhombohedral boron: at the crossroads of the chemistry of boron and the physics of frustration. Chemical Reviews. 113: 3425-49. PMID 23472640 DOI: 10.1021/cr300356t  0.48
2013 Morales MA, Hamel S, Caspersen K, Schwegler E. Hydrogen-helium demixing from first principles: From diamond anvil cells to planetary interiors Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.174105  0.48
2013 Pape SL, Correa AA, Fortmann C, Neumayer P, Döppner T, Davis P, Ma T, Divol L, Plagemann KU, Schwegler E, Redmer R, Glenzer S. Structure measurements of compressed liquid boron at megabar pressures New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/8/085011  0.48
2013 Lin JF, Schwegler E, Yoo CS. Phase Diagram and Physical Properties of H2O at High Pressures and Temperatures: Applications to Planetary Interiors Earth's Deep Water Cycle. 159-169. DOI: 10.1029/168GM12  0.48
2013 Choi WI, Wood BC, Schwegler E, Ogitsu T. Site-dependent free energy barrier for proton reduction on MoS2 edges Journal of Physical Chemistry C. 117: 21772-21777. DOI: 10.1021/jp405354u  0.48
2013 Choi WI, Wood BC, Schwegler E, Ogitsu T. Site-dependent free energy barrier for proton reduction on MoS2 edges Journal of Physical Chemistry C. 117: 21772-21777. DOI: 10.1021/jp405354u  0.32
2013 Wood BC, Schwegler E, Choi WI, Ogitsu T. Hydrogen-bond dynamics of water at the interface with InP/GaP(001) and the implications for photoelectrochemistry Journal of the American Chemical Society. 135: 15774-15783. DOI: 10.1021/ja403850s  0.48
2013 Wood BC, Schwegler E, Choi WI, Ogitsu T. Hydrogen-bond dynamics of water at the interface with InP/GaP(001) and the implications for photoelectrochemistry Journal of the American Chemical Society. 135: 15774-15783. DOI: 10.1021/ja403850s  0.32
2012 Kulik HJ, Schwegler E, Galli G. Probing the Structure of Salt Water under Confinement with First-Principles Molecular Dynamics and Theoretical X-ray Absorption Spectroscopy. The Journal of Physical Chemistry Letters. 3: 2653-8. PMID 26295887 DOI: 10.1021/jz300932p  0.48
2012 Pham TA, Huang P, Schwegler E, Galli G. First-principles study of the infrared spectra of the ice Ih (0001) surface. The Journal of Physical Chemistry. A. 116: 9255-60. PMID 22913799 DOI: 10.1021/jp304249k  0.48
2012 Lee JRI, Whitley HD, Meulenberg RW, Wolcott A, Zhang JZ, Prendergast D, Lovingood DD, Strouse GF, Ogitsu T, Schwegler E, Terminello LJ, Van Buuren T. Ligand-mediated modification of the electronic structure of CdSe quantum dots Nano Letters. 12: 2763-2767. PMID 22594309 DOI: 10.1021/nl300886h  0.48
2012 Wood BC, Ogitsu T, Schwegler E. Local structural models of complex oxygen- and hydroxyl-rich GaP/InP(001) surfaces. The Journal of Chemical Physics. 136: 064705. PMID 22360213 DOI: 10.1063/1.3682768  0.32
2012 Kang J, Zhu J, Wei SH, Schwegler E, Kim YH. Persistent medium-range order and anomalous liquid properties of Al 1-xCu x alloys Physical Review Letters. 108. DOI: 10.1103/PhysRevLett.108.115901  0.48
2012 Hamel S, Benedict LX, Celliers PM, Barrios MA, Boehly TR, Collins GW, Döppner T, Eggert JH, Farley DR, Hicks DG, Kline JL, Lazicki A, Lepape S, MacKinnon AJ, Moody JD, ... ... Schwegler E, et al. Equation of state of CH 1.36: First-principles molecular dynamics simulations and shock-and-release wave speed measurements Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.094113  0.48
2012 Swift DC, Eggert JH, Hicks DG, Hamel S, Caspersen K, Schwegler E, Collins GW, Nettelmann N, Ackland GJ. Mass-radius relationships for exoplanets Astrophysical Journal. 744. DOI: 10.1088/0004-637X/744/1/59  0.48
2012 Swift DC, Eggert JH, Hicks DG, Hamel S, Caspersen K, Schwegler E, Collins GW, Nettelmann N, Ackland GJ. Mass-radius relationships for exoplanets Astrophysical Journal. 744. DOI: 10.1088/0004-637X/744/1/59  0.48
2012 Wood BC, Ogitsu T, Schwegler E. Local structural models of complex oxygen- and hydroxyl-rich GaP/InP(001) surfaces Journal of Chemical Physics. 136. DOI: 10.1063/1.3682768  0.48
2012 Wood BC, Ogitsu T, Schwegler E. Local structural models of complex oxygen- and hydroxyl-rich GaP/InP(001) surfaces Journal of Chemical Physics. 136. DOI: 10.1063/1.3682768  0.32
2012 Kulik HJ, Schwegler E, Galli G. Probing the structure of salt water under confinement with first-principles molecular dynamics and theoretical X-ray absorption spectroscopy Journal of Physical Chemistry Letters. 3: 2653-2658. DOI: 10.1021/jz300932p  0.48
2012 Ogitsu T, Schwegler E. The α-β Phase boundary of elemental boron Solid State Sciences. 14: 1598-1600. DOI: 10.1016/j.solidstatesciences.2012.03.005  0.48
2012 Ogitsu T, Ping Y, Correa A, Cho Bi, Heimann P, Schwegler E, Cao J, Collins GW. Ballistic electron transport in non-equilibrium warm dense gold High Energy Density Physics. 8: 303-306. DOI: 10.1016/j.hedp.2012.01.002  0.48
2012 Morales MA, Benedict LX, Clark DS, Schwegler E, Tamblyn I, Bonev SA, Correa AA, Haan SW. Ab initio calculations of the equation of state of hydrogen in a regime relevant for inertial fusion applications High Energy Density Physics. 8: 5-12. DOI: 10.1016/j.hedp.2011.09.002  0.48
2011 Sadigh B, Erhart P, Åberg D, Trave A, Schwegler E, Bude J. First-principles calculations of the Urbach tail in the optical absorption spectra of silica glass. Physical Review Letters. 106: 027401. PMID 21405249 DOI: 10.1103/PhysRevLett.106.027401  0.32
2011 Boates B, Hamel S, Schwegler E, Bonev SA. Structural and optical properties of liquid CO2 for pressures up to 1 TPa Journal of Chemical Physics. 134. PMID 21322702 DOI: 10.1063/1.3549593  0.48
2011 Wood BC, Ogitsu T, Schwegler E. Ab initio modeling of water-semiconductor interfaces for photocatalytic water splitting: Role of surface oxygen and hydroxyl Journal of Photonics For Energy. 1. DOI: 10.1117/1.3625563  0.48
2011 Wood BC, Ogitsu T, Schwegler E. Ab initio modeling of water-semiconductor interfaces for photocatalytic water splitting: Role of surface oxygen and hydroxyl Journal of Photonics For Energy. 1. DOI: 10.1117/1.3625563  0.32
2011 Sadigh B, Erhart P, Åberg D, Trave A, Schwegler E, Bude J. First-principles calculations of the urbach tail in the optical absorption spectra of silica glass Physical Review Letters. 106. DOI: 10.1103/PhysRevLett.106.027401  0.48
2011 Sadigh B, Erhart P, Åberg D, Trave A, Schwegler E, Bude J. First-principles calculations of the urbach tail in the optical absorption spectra of silica glass Physical Review Letters. 106. DOI: 10.1103/PhysRevLett.106.027401  0.32
2011 Hamel S, Morales MA, Schwegler E. Signature of helium segregation in hydrogen-helium mixtures Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.165110  0.48
2011 Hamel S, Morales MA, Schwegler E. Signature of helium segregation in hydrogen-helium mixtures Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.165110  0.48
2011 Spanua L, Donadio D, Hohl D, Schwegler E, Galli G. Stability of hydrocarbons at deep Earth pressures and temperatures Proceedings of the National Academy of Sciences of the United States of America. 108: 6843-6846. DOI: 10.1073/pnas.1014804108  0.48
2011 Spanua L, Donadio D, Hohl D, Schwegler E, Galli G. Stability of hydrocarbons at deep Earth pressures and temperatures Proceedings of the National Academy of Sciences of the United States of America. 108: 6843-6846. DOI: 10.1073/pnas.1014804108  0.48
2011 Wood B, Ogitsu T, Schwegler E. Structure and reactivity of III-V semiconductors for photoelectrochemical hydrogen production Acs National Meeting Book of Abstracts 0.48
2011 Wood B, Ogitsu T, Schwegler E. Structure and reactivity of III-V semiconductors for photoelectrochemical hydrogen production Acs National Meeting Book of Abstracts 0.48
2010 Kulik HJ, Marzari N, Correa AA, Prendergast D, Schwegler E, Galli G. Local effects in the X-ray absorption spectrum of salt water. The Journal of Physical Chemistry. B. 114: 9594-601. PMID 20604517 DOI: 10.1021/jp103526y  0.48
2010 Kulik HJ, Marzari N, Correa AA, Prendergast D, Schwegler E, Galli G. Local effects in the X-ray absorption spectrum of salt water. The Journal of Physical Chemistry. B. 114: 9594-601. PMID 20604517 DOI: 10.1021/jp103526y  0.48
2010 Morales MA, Pierleoni C, Schwegler E, Ceperley DM. Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations. Proceedings of the National Academy of Sciences of the United States of America. 107: 12799-803. PMID 20566888 DOI: 10.1073/pnas.1007309107  0.48
2010 Morales MA, Pierleoni C, Schwegler E, Ceperley DM. Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations. Proceedings of the National Academy of Sciences of the United States of America. 107: 12799-803. PMID 20566888 DOI: 10.1073/pnas.1007309107  0.48
2010 Wood BC, Ogitsu T, Schwegler E. Ab-initio modeling of water-semiconductor interfaces for direct solar-to-chemical energy conversion Proceedings of Spie - the International Society For Optical Engineering. 7770. DOI: 10.1117/12.860770  0.48
2010 Ogitsu T, Gygi F, Reed J, Udagawa M, Motome Y, Schwegler E, Galli G. Geometrical frustration in an elemental solid: An Ising model to explain the defect structure of β -rhombohedral boron Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.020102  0.48
2010 Roos TB, Tabeleão VC, Dümmer LA, Schwegler E, Goulart MA, Moura SV, Corrê MN, Leite FPL, Gil-Turnes C. Effect of bacillus cereus var. Toyoi and Saccharomyces boulardii on the immune response of sheep to vaccines Food and Agricultural Immunology. 21: 113-118. DOI: 10.1080/09540100903443691  0.01
2010 Ping Y, Correa AA, Ogitsu T, Draeger E, Schwegler E, Ao T, Widmann K, Price DF, Lee E, Tam H, Springer PT, Hanson D, Koslow I, Prendergast D, Collins G, et al. Warm dense matter created by isochoric laser heating High Energy Density Physics. 6: 246-257. DOI: 10.1016/j.hedp.2009.12.009  0.48
2010 Ping Y, Correa AA, Ogitsu T, Draeger E, Schwegler E, Ao T, Widmann K, Price DF, Lee E, Tam H, Springer PT, Hanson D, Koslow I, Prendergast D, Collins G, et al. Warm dense matter created by isochoric laser heating High Energy Density Physics. 6: 246-257. DOI: 10.1016/j.hedp.2009.12.009  0.4
2010 Vieira MB, Schwegler E, Goulart MA, da Silva VM, Leston J, Tabeleão VC, da Fontoura Júnior JA, del Pino FAB, Corrêa MN. Evaluation of the metabolic profile of bulls in different phases of the reproductive cycle | Avaliação do perfil metabólico de touros em diferentes fases do ciclo reprodutivo Brazilian Journal of Veterinary Research and Animal Science. 47: 31-37.  0.01
2009 Klepeis JH, Evans WJ, Zaitseva N, Schwegler E, Teat SJ. Ammonium salicylate: a synchrotron study. Acta Crystallographica. Section E, Structure Reports Online. 65: o2062. PMID 21577486 DOI: 10.1107/S1600536809029857  0.48
2009 Donadio D, Cicero G, Schwegler E, Sharma M, Galli G. Electronic effects in the IR spectrum of water under confinement. The Journal of Physical Chemistry. B. 113: 4170-5. PMID 19231886 DOI: 10.1021/jp807709z  0.48
2009 Donadio D, Cicero G, Schwegler E, Sharma M, Galli G. Electronic effects in the IR spectrum of water under confinement. The Journal of Physical Chemistry. B. 113: 4170-5. PMID 19231886 DOI: 10.1021/jp807709z  0.48
2009 Ogitsu T, Gygi F, Reed J, Motome Y, Schwegler E, Galli G. Imperfect crystal and unusual semiconductor: boron, a frustrated element. Journal of the American Chemical Society. 131: 1903-9. PMID 19191703 DOI: 10.1021/ja807622w  0.48
2009 Ogitsu T, Gygi F, Reed J, Motome Y, Schwegler E, Galli G. Imperfect crystal and unusual semiconductor: boron, a frustrated element. Journal of the American Chemical Society. 131: 1903-9. PMID 19191703 DOI: 10.1021/ja807622w  0.48
2009 Ogitsu T, Benedict LX, Schwegler E, Draeger EW, Prendergast D. First-principles calculations of solid and liquid aluminum optical absorption spectra near the melting curve: Ambient and high-pressure results Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.214105  0.48
2009 Benedict LX, Ogitsu T, Trave A, Wu CJ, Sterne PA, Schwegler E. Calculations of high-pressure properties of beryllium: Construction of a multiphase equation of state Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.064106  0.48
2009 Morales MA, Schwegler E, Ceperley D, Pierleoni C, Hamel S, Caspersen K. Phase separation in hydrogen-helium mixtures at Mbar pressures Proceedings of the National Academy of Sciences of the United States of America. 106: 1324-1329. DOI: 10.1073/pnas.0812581106  0.48
2009 Huang P, Schwegler E, Galli G. Water confined in carbon nanotubes: Magnetic response and proton chemical shieldings Journal of Physical Chemistry C. 113: 8696-8700. DOI: 10.1021/jp811060y  0.48
2009 Fattebert JL, Law RJ, Bennion B, Lau EY, Schwegler E, Lightstone FC. Quantitative assessment of electrostatic embedding in density functional theory calculations of biomolecular systems Journal of Chemical Theory and Computation. 5: 2257-2264. DOI: 10.1021/ct900209y  0.48
2008 Schwegler E, Sharma M, Gygi F, Galli G. Melting of ice under pressure. Proceedings of the National Academy of Sciences of the United States of America. 105: 14779-83. PMID 18809909 DOI: 10.1073/pnas.0808137105  0.48
2008 Schwegler E, Sharma M, Gygi F, Galli G. Melting of ice under pressure. Proceedings of the National Academy of Sciences of the United States of America. 105: 14779-83. PMID 18809909 DOI: 10.1073/pnas.0808137105  0.48
2008 Sharma M, Donadio D, Schwegler E, Galli G. Probing properties of water under confinement: infrared spectra. Nano Letters. 8: 2959-62. PMID 18680386 DOI: 10.1021/nl8018643  0.48
2008 Sharma M, Donadio D, Schwegler E, Galli G. Probing properties of water under confinement: infrared spectra. Nano Letters. 8: 2959-62. PMID 18680386 DOI: 10.1021/nl8018643  0.48
2008 Cicero G, Grossman JC, Schwegler E, Gygi F, Galli G. Water confined in nanotubes and between graphene sheets: a first principle study. Journal of the American Chemical Society. 130: 1871-8. PMID 18211065 DOI: 10.1021/ja074418+  0.48
2008 Allesch M, Lightstone FC, Schwegler E, Galli G. First principles and classical molecular dynamics simulations of solvated benzene. The Journal of Chemical Physics. 128: 014501. PMID 18190198 DOI: 10.1063/1.2806288  0.48
2008 Correa AA, Benedict LX, Young DA, Schwegler E, Bonev SA. First-principles multiphase equation of state of carbon under extreme conditions Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.024101  0.48
2008 Ping Y, Hanson D, Koslow I, Ogitsu T, Prendergast D, Schwegler E, Collins G, Ng A. Dielectric function of warm dense gold Physics of Plasmas. 15. DOI: 10.1063/1.2844365  0.48
2008 Ping Y, Hanson D, Koslow I, Ogitsu T, Prendergast D, Schwegler E, Collins G, Ng A. Dielectric function of warm dense gold Physics of Plasmas. 15. DOI: 10.1063/1.2844365  0.4
2007 Raty JY, Schwegler E, Bonev SA. Electronic and structural transitions in dense liquid sodium. Nature. 449: 448-51. PMID 17898764 DOI: 10.1038/nature06123  0.4
2007 Allesch M, Schwegler E, Galli G. Structure of hydrophobic hydration of benzene and hexafluorobenzene from first principles. The Journal of Physical Chemistry. B. 111: 1081-9. PMID 17266261 DOI: 10.1021/jp065429c  0.48
2007 Allesch M, Schwegler E, Galli G. Structure of hydrophobic hydration of benzene and hexafluorobenzene from first principles. The Journal of Physical Chemistry. B. 111: 1081-9. PMID 17266261 DOI: 10.1021/jp065429c  0.48
2007 Schwegler E. First-principles simulations of aqueous solutions Journal of Physics: Conference Series. 78. DOI: 10.1088/1742-6596/78/1/012065  0.48
2007 Orlikowski D, Correa AA, Schwegler E, Klepeis JE. A steinberg-guinan model for high-pressure carbon: Diamond phase Aip Conference Proceedings. 955: 247-250. DOI: 10.1063/1.2833022  0.48
2007 Orlikowski D, Correa AA, Schwegler E, Klepeis JE. A steinberg-guinan model for high-pressure carbon: Diamond phase Aip Conference Proceedings. 955: 247-250. DOI: 10.1063/1.2833022  0.4
2007 Raty JY, Schwegler E, Bonev SA. Electronic and structural transitions in dense liquid sodium Nature. 449: 448-451. DOI: 10.1038/nature06123  0.48
2006 Ping Y, Hanson D, Koslow I, Ogitsu T, Prendergast D, Schwegler E, Collins G, Ng A. Broadband dielectric function of nonequilibrium warm dense gold. Physical Review Letters. 96: 255003. PMID 16907313  0.4
2006 Ping Y, Hanson D, Koslow I, Ogitsu T, Prendergast D, Schwegler E, Collins G, Ng A. Broadband dielectric function of nonequilibrium warm dense gold Physical Review Letters. 96. DOI: 10.1103/PhysRevLett.96.255003  0.48
2006 Ping Y, Hanson D, Koslow I, Ogitsu T, Prendergast D, Schwegler E, Collins G, Ng A. Broadband dielectric function of nonequilibrium warm dense gold Physical Review Letters. 96. DOI: 10.1103/PhysRevLett.96.255003  0.4
2005 Lightstone FC, Schwegler E, Allesch M, Gygi F, Galli G. A first-principles molecular dynamics study of calcium in water. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1745-9. PMID 16013079 DOI: 10.1002/cphc.200500053  0.48
2005 Tymczak CJ, Weber VT, Schwegler E, Challacombe M. Linear scaling computation of the Fock matrix. VIII. Periodic boundaries for exact exchange at the Τ point Journal of Chemical Physics. 122. DOI: 10.1063/1.1869470  0.48
2004 Bonev SA, Schwegler E, Ogitsu T, Galli G. A quantum fluid of metallic hydrogen suggested by first-principles calculations. Nature. 431: 669-72. PMID 15470423 DOI: 10.1038/nature02968  0.48
2004 Bonev SA, Schwegler E, Ogitsu T, Galli G. A quantum fluid of metallic hydrogen suggested by first-principles calculations. Nature. 431: 669-72. PMID 15470423 DOI: 10.1038/nature02968  0.48
2004 Schwegler E, Grossman JC, Gygi F, Galli G. Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II. The Journal of Chemical Physics. 121: 5400-9. PMID 15352834 DOI: 10.1063/1.1782074  0.48
2004 Allesch M, Schwegler E, Gygi F, Galli G. A first principles simulation of rigid water. The Journal of Chemical Physics. 120: 5192-8. PMID 15267390 DOI: 10.1063/1.1647529  0.48
2004 Grossman JC, Schwegler E, Draeger EW, Gygi F, Galli G. Towards an assessment of the accuracy of density functional theory for first principles simulations of water. The Journal of Chemical Physics. 120: 300-11. PMID 15267290 DOI: 10.1063/1.1630560  0.48
2004 Grossman JC, Schwegler E, Draeger EW, Gygi F, Galli G. Towards an assessment of the accuracy of density functional theory for first principles simulations of water. The Journal of Chemical Physics. 120: 300-11. PMID 15267290 DOI: 10.1063/1.1630560  0.48
2004 Grossman JC, Schwegler E, Galli G. Quantum and classical molecular dynamics simulations of hydrophobic hydration structure around small solutes Journal of Physical Chemistry B. 108: 15865-15872. DOI: 10.1021/jp0470187  0.48
2004 Grossman JC, Schwegler E, Galli G. Quantum and classical molecular dynamics simulations of hydrophobic hydration structure around small solutes Journal of Physical Chemistry B. 108: 15865-15872. DOI: 10.1021/jp0470187  0.48
2003 Reboredo FA, Schwegler E, Galli G. Optically activated functionalization reactions in Si quantum dots. Journal of the American Chemical Society. 125: 15243-9. PMID 14653759 DOI: 10.1021/ja035254+  0.48
2003 Reboredo FA, Schwegler E, Galli G. Optically activated functionalization reactions in Si quantum dots. Journal of the American Chemical Society. 125: 15243-9. PMID 14653759 DOI: 10.1021/ja035254+  0.48
2003 Ogitsu T, Schwegler E, Gygi F, Galli G. Melting of lithium hydride under pressure. Physical Review Letters. 91: 175502. PMID 14611356  0.48
2003 Gygi F, Fattebert JL, Schwegler E. Computation of Maximally Localized Wannier Functions using a simultaneous diagonalization algorithm Computer Physics Communications. 155: 1-6. DOI: 10.1016/S0010-4655(03)00315-1  0.48
2003 Ogitsu T, Schwegler E, Gygi F, Galli G. Melting of Lithium Hydride under Pressure Physical Review Letters. 91: 1755021-1755024.  0.48
2003 Ogitsu T, Schwegler E, Gygi F, Galli G. Melting of Lithium Hydride under Pressure Physical Review Letters. 91: 1755021-1755024.  0.48
2002 Dellago C, Geissler PL, Chandler D, Hutter J, Parrinello M, Schwegler ER, Galli G, Gygi F, Hood RQ. Comment on "Dissociation of water under pressure" (multiple letters) Physical Review Letters. 89: 199601/1-199602/1.  0.48
2001 Schwegler E, Galli G, Gygi F, Hood RQ. Dissociation of water under pressure. Physical Review Letters. 87: 265501. PMID 11800838  0.48
2001 Lightstone FC, Schwegler E, Hood RQ, Gygi F, Galli G. A first principles molecular dynamics simulation of the hydrated magnesium ion Chemical Physics Letters. 343: 549-555. DOI: 10.1016/S0009-2614(01)00735-7  0.48
2001 Schwegler E, Galli G, Gygi F. Conformational dynamics of the dimethyl phosphate anion in solution Chemical Physics Letters. 342: 434-440. DOI: 10.1016/S0009-2614(01)00604-2  0.48
2001 Schwegler E, Galli G, Gygi F, Hood RQ. Dissociation of water under pressure Physical Review Letters. 87: 2655011-2655014.  0.48
2001 Schwegler E, Galli G, Gygi F, Hood RQ. Dissociation of water under pressure Physical Review Letters. 87: 2655011-2655014.  0.48
2000 Schwegler E, Galli G, Gygi F. Water under pressure Physical Review Letters. 84: 2429-32. PMID 11018902  0.48
2000 White JA, Schwegler E, Galli G, Gygi F. The solvation of Na+ in water: First-principles simulations Journal of Chemical Physics. 113: 4668-4673.  0.48
2000 White JA, Schwegler E, Galli G, Gygi F. The solvation of Na+ in water: First-principles simulations Journal of Chemical Physics. 113: 4668-4673.  0.48
2000 Schwegler E, Challacombe M. Linear scaling computation of the Fock matrix. III. Formation of the exchange matrix with permutational symmetry Theoretical Chemistry Accounts. 104: 344-349.  0.48
2000 Schwegler E, Galli G, Gygi F. Water under Pressure Physical Review Letters. 84: 2429-2432.  0.48
2000 Schwegler E, Galli G, Gygi F. Water under Pressure Physical Review Letters. 84: 2429-2432.  0.48
1999 Schwegler E, Challacombe M. Linear scaling computation of the Fock matrix. IV. Multipole accelerated formation of the exchange matrix Journal of Chemical Physics. 111: 6223-6229.  0.48
1998 Schwegler E, Challacombe M, Head-Gordon M. A multipole acceptability criterion for electronic structure theory Journal of Chemical Physics. 109: 8764-8769. DOI: 10.1063/1.477546  0.48
1997 Schwegler E, Challacombe M, Head-Gordon M. Linear scaling computation of the Fock matrix. II. Rigorous bounds on exchange integrals and incremental Fock build Journal of Chemical Physics. 106: 9708-9717.  0.48
1996 Schwegler E, Challacombe M. Linear scaling computation of the Hartree-Fock exchange matrix Journal of Chemical Physics. 105: 2726-2734.  0.48
1996 Challacombe M, Schwegler E, Almlöf J. Fast assembly of the Coulomb matrix: A quantum chemical tree code Journal of Chemical Physics. 104: 4685-4698.  0.48
1995 Challacombe M, Schwegler E, Almlöf J. Recurrence relations for calculation of the Cartesian multipole tensor Chemical Physics Letters. 241: 67-72. DOI: 10.1016/0009-2614(95)00597-W  0.48
1993 Schwegler E, Kozlowski PM, Adamowicz L. Application of explicitly correlated Gaussian functions for calculations of the ground state of the beryllium atom Journal of Computational Chemistry. 14: 566-570. DOI: 10.1002/jcc.540140509  0.48
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