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• December 6, 2016: Francesco gives the Physical Chemistry seminar about our many-body molecular dynamics

  methodology at GeorgiaTech.

• November 6, 2016: Francesco presents our group research at the Center for the Computational Design of

  Functional Layered Materials at Temple University.

• October 31, 2016: Our article On the accuracy of the MB-pol many-body potential for water: Interaction energies,

  vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

  is accepted for publication in the Journal of Chemical Physics.

• October 23-26, 2016: Francesco is an invited speaker at the 4th International Conference on Molecular

  Simulation in Shanghai.

• October 18, 2016: Karl and Shelby present their research at the Frontiers of Innovation Scholar Program (FISP)

  Symposium.

• September 28, 2016: Our article Spin crossover in the {Fe(pz)[Pt(CN)4]} metal-organic framework upon pyrazine

  adsorption is accepted for publication in the Journal of Physical Chemistry Letters.

• September 27, 2016: Francesco is the speaker for the Physical Chemistry Seminar at Yale University.

• September 11-15, 2016: Huy and Francesco present our group research at MOF 2016.

• September 1, 2016: Sandra joins our group.

• August 23, 2016: Francesco receives of the 2016 Early Career Award in Theoretical Chemistry from the Division of

  Physical Chemistry of the American Chemical Society.

• August 22, 2016: Shelby is the recipient of the GAANN fellowship from the Department of Education.

• August 22, 2016: Our article i-TTM model for ab initio-based ion-water interaction potentials. II. Alkali metal

  ion–water potential energy functions is accepted for publication in Physical Chemistry Chemical Physics.

• August 15, 2016: Our research gets funded by the Air Force Office of Scientific Research.

• August 11, 2016: Our article Getting the right answers for the right reasons: Toward predictive molecular

  simulations of water with many-body potential energy functions is accepted for publication in Accounts of Chemical

  Research.

• August 5, 2016: Shelby wins the poster competition and gives a talk at the Gordon Research Conference Water

  and aqueous solutions.

• July 31 - August 5, 2016: Francesco is a discussion leader and Shelby is a poster presenter at the Gordon

  Research Conference Water and aqueous solutions.

• July 17 - 22, 2016: Francesco is a speaker and Dan a poster presenter at the Gordon Research Conference

  Vibrational spectroscopy.

• July 12 - 15, 2016: Pushp and Marc are speakers at the TSRC workshop Many-body interactions: From quantum

  mechanics to force fields.

• July 11, 2016: Lauren joins our group as part of the Research Scholars Program of UC San Diego.

• July 10 - 15, 2016: Francesco is a speaker at the Gordon Research Conference Molecular interactions and

  dynamics.

• July 7 - 8, 2016: Francesco is the speaker for the Computational Chemistry and Materials Science Lectures at the

  Lawrence Livermore National Laboratory.

• June 21 - July 1, 2016: Francesco is a speaker at the TSRC workshops Nonlinear optics at interfaces and

  Condensed phase dynamics.

• June 20, 2016: Jude and Gerardo join our group as part of CAICE and STARS Summer Research Programs.

• May 18 - 20, 2016: Francesco is a speaker at CPMD 2016 at the University of Chicago.

• May 5, 2016: Our article Toward chemical accuracy in the representation of ion-water interactions through

  many-body representations. I. Halide-water dimer potential energy surfaces is accepted for publication in the

  Journal of Chemical Theory and Computation.

• May 4, 2016: Our article Molecular mechanisms of spin crossover in the {Fe(pz)Pt[CN]4} metal-organic

  framework upon water adsorption is accepted for publication in the Journal of the American Chemical Society.

• May 2, 2016: Santosh joins our group.

• April 29, 2016: Our article Modeling molecular interactions in water: From pairwise to many-body potential

  energy functions is accepted for publication in Chemical Reviews.

• April 23, 2016: Our article Exploring electrostatic effects on the hydrogen bond network of liquid water through

  many-body molecular dynamics is accepted for publication in the Journal of Physical Chemistry B.

• April 14, 2016: Francesco gives the Greater Boston Area Theoretical Chemistry Lecture.

• April 1, 2016: Gianmarc joins our group.

• March 28, 2016: Debbie, Renee, Minyue and Sara join our group.

• March 13 - 17, 2016: Our group is at the National Meeting of the American Chemical Society in San Diego.

• March 4, 2016: Our article Dissecting the molecular structure of the air/water interface from quantum simulations

  of the sum-frequency generation spectrum is accepted for publication in the Journal of the American Chemical

  Society.

• February 5, 2016: Our article The effects of framework dynamics on the behavior of water adsorbed in the

  [Zn(l-L)(Cl)] and Co-MOF-74 metal–organic frameworks is accepted for publication in Physical Chemistry Chemical

  Physics.

• February 2, 2016: Shelby is the recipient of the Frontiers of Innovation Scholars Program (FISP) Fellowship from

  UC San Diego.

• January 26, 2016: Francesco is the recipient of the Early Career Award in Theoretical Chemistry from the Division

  of Physical Chemistry of the American Chemical Society.

• January 22, 2016: Our joint theoretical-experimental article Molecular insight into the proton transport in a highly

  conductive porous Zr-based metal-organic framework is accepted for publication in Angewandte Chemie

  International Edition.

• January 19, 2016: Our joint proposal with Chris Knight, at Argonne National Lab, for optimizing our code for

  MB-MD simulations is selected for funding.