Our Nature Communications paper is out – ice-like optical phonons in liquid water

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Commentary by Dan Elton Our paper, “The hydrogen-bond network of water supports propagating optical phonon-like modes” was published on January 4th in Nature Communications (full pdf, Stony Brook University Press Release). Our work shows that propagating vibrations or phonons can exist in water, … Continue reading

Our new paper on the order/disorder phase transition of hexagonal ice has been accepted in Phys. Rev. B

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Our new paper, “Electronic and Nuclear Quantum Effects on the Ice XI/Ice Ih Phase Transition” has been accepted in Phys. Rev. B.  Experimentally, the temperature of the order/disorder phase transition of hexagonal ice is 72 K for light ice (H2O) and … Continue reading

A new paper on the diffusivity and compressibility anomaly of water has been accepted to J. Chem. Phys.

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A new paper in Marivi’s collaboration with Fabiano Corsetti, Emilio Artacho, José M. Soler and S. S. Alexandre has been accepted to Journal of Chemical Physics of AIP. In this work, “Room temperature compressibility and the diffusivity anomaly of liquid … Continue reading

Betül Pamuk gave a Provost Graduate Student Lecture

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Betül Pamuk gave a talk for the Stony Brook University Provost’s Graduate Student Lecture Series on October 29, 2013. The goal of these series of talks is for the graduate students to present their own research to a general audience … Continue reading

New paper on optimized basis sets for water has been published

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Marivi’s paper with her collaboration with SIESTA group, Fabiano Corsetti, Jose Soler, and Emilio Artacho has been published in Journal of Physics: Condensed Matter of IOP. The paper gives a detailed recipe to generate and test “Optimal finite-range atomic basis … Continue reading

Marivi Fernandez-Serra gave an invited talk

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Our group leader, Marivi Fernandez-Serra gave an invited talk at 7th International Discussion Meeting on Relaxation in Complex Systems in Barcelona. Her talk was at the Water and Hydrogen Bonded Systems session. She talked about van der Waals interactions and nuclear zero point effects in … Continue reading