23 June 02015 Daniel Hopkins '16, Richard Phillips '18, Julian Taylor '18, and JS went to the 2015 MERCURY Conference on Undergraduate Computational Chemistry at Bucknell University. In addition to presenting posters on their works, they heard talks on a wide range of computational chemistry topics.
22 June0215 A brief article on David Reilley '16 summer research with Prof. William Lubell at the Universite de Montreal
08 June 02015 JS was promoted to Associate Professor of Chemistry.
18 May 02015 Summer research begins. Bowen Yao '17 and Bradley Studnitzer '17 will be working on nanopore gas separation simulations; Julian Taylor '18 and Richard Phillips '18 will be working on quinone batteries; Raghav Bali '18 and Jiaming ("Rosalind") Xu '18 will be pursuing joint experimental and computational work for our Dark Reactions project; Daniel Hopkins '16 will be developing a web-based game for teaching organic spectroscopy. The "away-team": Malia Wenny '17 is doing a SULI internship at the National Renewable Energy Laboratory (NREL); David Reilley '16 will be pursuing a joint computational/synthetic organic chemistry project in William Lubell's group at the Universite de Montreal; Geoffrey Martin-Noble '16 is doing a computer science REU at the University of Maryland.
17 May 02015 Commencement 2015 Congratulations to Jade Andrade '15, John Curry '15, Sergio Pineda '15, and Kylen Solvik '16 for jobs well done.
06 May 02015 Geoffrey Martin-Noble '16 was awarded a Goldwater Scholarship. More at the Haverford College Newsroom.
29 Apr 02015 Anna Brockway '12 was awarded a National Science Foundation Graduate Research Fellowship (GRFP). More at the Haverford College Newsroom
20 Mar 02015 Malia Wenny '17 was awarded the prestigious Beckman Scholar award to pursue a joint experimental-theoretical project on perovskite materials.
27 Jan 02015 JS was awarded a Fulbright Fellowship to conduct research at the Fritz-Haber-Institut der Max-Planck-Gesselschaft in Berlin, Germany during the Fall 2015 semester.
20 Aug 02014 JS gave a talk on The Dark Reaction Project: Archiving and deriving value from unreported "failed" hydrothermal synthesis reactions at the Joint Center for Artificial Photosynthesis (JCAP) at Lawrence Berkeley National Laboratory.
13 Aug 02014 JS gaves talks on Helium isotope enrichment by resonant tunneling through nanoporous graphene bilayers and EQeq+C: An empirical bond-order corrected extended charge equilibration method at the 248th American Chemical Society National Meeting in San Francisco.
01 Aug 02014 JS received the Henry Dreyfus Teacher-Scholar Award
21 July 02014 JS and Kylen Solvik '15 attended the American Conference on Theoretical Chemistry in Telluride, CO
09 June 02014 High school student Liam Feehery has joined the lab to write web applications for quantum chemistry.
19 May 02014 Summer research begins. John Curry '15, Kylen Solvik '15, and Bowen Yao '17 are working on nanopore gas separation simulations; David Reilley '16 is working on EQeq+C and metal organic framework gas adsorption; Aurelio Mollo '17 and Malia Wenny '17 are doing joint experimental and computational work for the
Dark Reactions Project, and Anahita Nourmahnad '14 is staying for a few weeks to wrap up NCI calculations. The "away-team": Jade Andrade '15 is doing amyloid molecular dynamics at UPenn, Casey Falk '16 is doing a summer internship at MITRE, Luis Rivas '16 is doing a SMDEP (pre-med) internship at Yale; Geoffrey Martin-Noble '16 is doing a NNIN REU at Stanford.
18 May 02014 Commencement 2014 Congratulations to Avi Bregman '14 and Anahita Nourmahnad '14 for jobs well done.
15 May 02014 Our paper Helium Isotope Enrichment by Resonant Tunneling through Nanoporous Graphene Bilayers was accepted by Journal of Physical Chemistry C.
01 Apr 02014 Matthew Smith '13 received the prestigious NSF Graduate Research Fellowship
28 Mar 02014 Geoffrey Martin-Noble '16 received an Honorable Mention for the 2014 Goldwater Scholarship.
18 Mar 02014 JS gave talks on “Using surface adsorption and entropic barriers to improve gas separation by 2D nanoporous membranes” and “Dark reaction project: Archiving and deriving value from unreported "failed" hydrothermal synthesis reactions” at the 247th American Chemical Society National Meeting in Dallas, Texas.
13 Dec 02013 NERSC gave us generous allocations of supercomputer time for our gas separation (600K hours) and organic semiconductor (200K hours) research projects in 2014.
20 Sep 02013 The Haverford College Newsroom published an article on our recent NSF grant for the Dark Reactions Project
28 Aug 02013 We received a grant from the
National Science Foundation to support our latest effort- The Dark Reaction Project: a machine learning approach to materials discovery with Prof. Sorelle Friedler and Prof. Alexander Norquist
08 Aug 02013 Our paper on Formation principles for templated vanadium selenite oxalates was accepted by Crystal Growth and Design
26 Jul 02013 Our paper on Entropy-driven Molecular Separations in 2D-Nanoporous Materials, with Application to High-performance Paraffin/Olefin Membrane Separations was accepted by Journal of Physical Chemistry C.
05 Apr 02013 JS gave a talk at the University of Richmond on "Isotopic and chemical separations using nanoporous two-dimensional membranes".
02 Apr 02013 Our paper on Steric induced layer flection in templated vanadium tellurites was accepted by Crystal Growth and Design.
09 Mar 02013 Summer Scholarship updates: Kylen Solvik '15 and Jessica Weaver '13 received U.S. Dept. of Energy Summer Undergraduate Laboratory Internships at Brookhaven National Laboratory and the Molecular Foundry@Lawrence Berkeley National Laboratory, respectively. To support their summer research at Haverford, Luis Rivas '16 received a Chesick Scholars award, Anahita Nourmahnad '14 and David Reilly '16 received HHMI Interdisciplinary Scholars awards (Anahita will be doing joint experimental/computational work with Prof. Norquist), and Geoffrey Martin-Noble '16 received a Brian Kovaric '05 Memorial Fellowship.
01 Mar 02013 JS gave a talk at Wesleyan University on "Isotopic and chemical separations using nanoporous two-dimensional membranes"
21 Feb 02013 Jade Andrade '15 and Kylen Solvik '15 presented posters at the American Chemical Society Philadelphia Section 13th Annual Student Poster Session, held at Drexel University.
15 Feb 02013 JS gave a talk at San Francisco State University on "Isotopic and chemical separations using nanoporous two-dimensional membranes"
14 Dec 02012NERSC gave us a generous allocation of supercomputer time for our gas separation (758K hours) and organic semiconductor (40K hours) research projects in 2013.
11 Dec 02012 Our paper on Noble Gas Separation using PG-ESX (X=1,2,3) Nanoporous Two-dimensional Polymers was accepted by Journal of Physical Chemistry C.
15 Nov 02012 The Haverford College Newsroom published an article about Anna Brockway '12's SunShot Fellowship.
02 Oct 02012 Anna Brockway '12 was awarded the prestigious U.S. Department of Energy SunShot Initiative Junior Fellowship.
22 Sep 02012 Jade Andrade '15, Matthew Holmes '15, Anahita Nourmahnad '14, Kylen Solvik '15 and Jessica Weaver '13 presented posters and Matthew Smith '13 was selected to give a talk at the
Undergraduate Science Research Symposium at Haverford College.
21 Sep 02012 JS gave a talk at Harvard University on "The Feasibility of Isotope Separation using Quantum Tunneling Effects in Nanostructures"
20 Sep 02012 JS gave a talk at Clark University on "Isotopic and Chemical Separations Using Nanoporous Two-Dimensional Membranes"
14 Sep 02012 Our paper on The role of hydrogen-bonding in the formation of polar achiral and nonpolar chiral vanadium selenite frameworks was accepted by Inorganic Chemistry.
15 Aug 02012 JS will be giving a talk on How fast is gas separation through a nanoporous graphene membrane? The role of surface adsorption, and application to post-combustion CO2 capture (Tues 21 Aug, 2:35PM, 119A) and Isotope separation using quantum tunneling (Wed 22 Aug, 2:00PM, 109 A) at the 244th American Chemical Society National Meeting in Philadelphia next week.
06 Aug 02012 JS gave a talk on "Isotopic and chemical separations using nanoporous two-dimensional membranes" at the Quantum Simulations Group@Lawrence Livermore National Laboratory
02 Aug 02012 Our recent paper on "Carbon Dioxide Separation with a Two-dimensional Polymer Membrane" is receiving press from NERSC and the Haverford College Newsroom
01 Aug 02012 JS gave a talk on "Isotopic and chemical separations using nanoporous two-dimensional membranes" at the Molecular Foundry@Lawrence Berkeley National Laboratory
26 June 02012 Our paper on "Carbon Dioxide Separation with a Two-dimensional Polymer Membrane" was accepted by ACS Applied Materials & Interfaces
20 June 02012 XSEDE gave us a 225K CPU hours of supercomputer time for our organically-templated inorganic materials projects with Prof. Alexander Norquist (NSF: TG-DMR120043)
14 May 02012 Summer research begins.
Jade Andrade '15, Matthew Holmes '15, and Anahita Nourmahnad '14 are working on quantum mechanical simulations; Kylen Solvik '15 and Jessica Weaver '13 are working on molecular dynamics simulations; Matthew Smith '13 will be continuing his work on solid state electronic structure and Anna Brockway '12 will be spending a few weeks with to wrap up her work and to get the new crew up to speed.
13 May 02012 Commencement 2012. Congratulations to Anna Brockway '11 and Samuel Blau '11 for jobs well done.
11 May 02012 Our recent paper on helium isotope separation was written about in Chemistry World (published by the Royal Society of Chemistry)
24 Apr 02012 Our paper on Helium Tunneling through Nitrogen-Functionalized Graphene Pores: Pressure- and Temperature-Driven Approaches to Isotope Separation was accepted by Journal of Physical Chemistry C
02 Apr 02012 Samuel Blau '12 received the prestigious Department of Energy Computational Science Graduate Fellowship
31 Mar 02012 Samuel Blau '12 and Jacob Olshansky '12 received the prestigious NSF Graduate Research Fellowship. More at the Haverford College Newsroom
21 Mar 02012 JS gave a talk on "Quantum Chemical Engineering: The feasibility of isotope separation using quantum tunneling effects." at UC Berkeley.
20 Mar 02012 Matthew Holmes '15 received a Brian Kovaric scholarship award to support summer research on nanoporous graphene.
29 Feb 02012 JS will be giving a talk on Thermally-driven Isotope Separation Across Nanoporous Graphene at the American Physical Society meeting. (Room: 207, 1:03pm)
17 Feb 02012 Kylen Solvik '15 received a HHMI Interdisciplinary Scholars award to support summer research in the lab on nanoporous graphene.
15 Feb 02012 The NERSC Initiative for Scientific Exploration (NISE) awarded us an additional 0.5 x 106 hours of supercomputer time for our nanoporous graphene project.
11 Feb 02012 Our paper on Inducing polarity in [VO3]nn- chain compounds using asymmetric hydrogen-bonding networks was accepted by Journal of Solid State Chemistry
30 Jan 02012 Our paper on Ethanol concentration by forward osmosis with solar-regenerated draw solution was accepted by Solar Energy
04 Jan 02012 NERSC gave us a generous allocation of supercomputer time for our nanoporous graphene projects in 2012
14 Dec 02011
XSEDE gave us a generous allocation of supercomputer time for our organically-templated inorganic materials projects in 2012
08 Dec 02011 NERSC gave us a generous allocation of supercomputer time for our organic semiconductor projects (joint with Harvard) in 2012
24 Nov 02011 Our paper on Thermally-driven Isotope Separation Across Nanoporous Graphene was accepted by Chemical Physics Letters
21 Oct 02011 Our paper on Fluorinated and nanoporous graphene materials as sorbents for gas separations was accepted by ACS Applied Materials & Interfaces
31 Aug 02011 More press on our Nature Communications article over at the Haverford College Newsroom
23 Aug 02011 More press on our Nature Communications article over at Technology Review
18 Aug 02011 Our Nature Communications article got some more press from Slashdot and Science Daily.
17 Aug 02011 Our Nature Communications article is receiving a lot of press from Nature News, the Harvard Gazette, and a press release by Stanford.
08 Aug 02011 Our paper on Beyond charge density matching; the role of C – H ... O interactions in the formation of templated vanadium tellurites was accepted by Crystal Growth & Design
21 July 02011 Our paper on From in silico computational discovery to experimental characterization of a high hole mobility organic crystal was accepted by Nature Communications
17 July 02011 Samuel Blau '12, Anna
Brockway '12 and JS are headed to 2011 American
Conference on Theoretical Chemistry. Sam will be
presenting a poster on "Lattice density-functional theory
for the Hubbard model of graphene nanostructures" and
Anna will be presenting a poster on "Post-Hartree-Fock,
Generalized Gradient, and Dispersion-Corrected Approaches
for Atom Tunneling Through Nanoporous Membranes". In addition they will
be writing a blog on their experience.
17 May 02011 JS received a Cottrell College Science Award grant to advance our research on chemical and isotopic separations via quantum tunneling. More at the Haverford College News Room.
16 May 02011 Summer research begins. Samuel Blau '12 and Anna Brockway '12 are working on graphene optoelectronic and nanopore projects. Malenca Logan '14 and Arman Terzian '14 are working on organic semiconductor design. The "away-team": Jennifer Whealdon '13 is doing a summer medical internship.
15 May 02011 Commencement 2011. Congratulations to Ethan Glor '11, James McClain '11 and Matthew Stern '11 on jobs well done.
03 May 02011 Our paper on Understanding an order-disorder phase transition in ionothermal synthesized gallium phosphates was accepted by Crystal Growth & Design.
07 Apr 02011 Our paper on [R-C7H16N2][V2Te2O10] and [S-C7H16N2][V2Te2O10]; new polar
templated vanadium tellurite enantiomers was accepted by the Journal of Solid State Chemistry.
05 Apr 02011 Connor Bischak '10 and Adam Subhas '09 were both awarded the prestigious NSF Graduate Fellowships. More details on the Haverford College News Room.
30 Mar 02011 Malenca Logan '14 received a Multicultural Scholars Program fellowship to support summer research on nanostructured materials in the group.
28 Mar 02011 Samuel Blau '12 and Anna Brockway '12 received an award from the Green Fund at Haverford College to attend the American Conference on Theoretical Chemistry in Telluride, CO July 17-22, 2011.
16 Feb 02011 Samuel Blau '12 received a HHMI Interdisciplinary Scholars award to support summer
research in the lab on graphene nanomechanics and solid-state DFT calculations.
11 Feb 02011 Our paper on Predicting Organic Thin Film
Transistor Carrier Type from Single Molecule Calculations was accepted by Computational and Theoretical Chemistry.
30 Dec 02010 JS was selected as a KITP Scholar for 2011-2013. This program supports six weeks of residency at the Kavli Institute for Theoretical Physics at UC Santa Barbara
14 Dec 02010 NERSC gave us a generous helping of supercomputer time to use for our organic semiconductor and inorganic nanowires and solids projects in 2011.
12 Nov 02010 JS gave a talk at Bryn Mawr College on "Improving Graphene with Scissors and a Hole-Punch".
12 Oct 02010 Jennifer Whealdon '13 presented a poster "Reorganization Energy Minimization of Organic Semiconductors" at the 2010 Discovery to Commercialization Conference, hosted by the Nanotechnology Institute and and The Energy Commercialization Institute, held at the Chemical Heritage Foundation in Philadelphia.
25 Sep 02010 Samuel Blau '12, Anna Brockway '12, Matthew Stern '11, and Jennifer Whealdon '13 presented posters, and Ethan Glor '11 was selected to give a talk,
at the Undergraduate Science Research Symposium at Haverford College.
14 Sep 02010 Personnel updates: Samuel Blau '12 and Ethan Glor '11 are continuing work on solid-state electronic structure calculations. Anna Brockway '12 is continuing work on nanowire thermal conductivity. James Mayer '12 and Daphne Paparis '11 are beginning work on graphene mechanical/thermal stability. James McClain '11 is working on atomic tunneling through graphene. Matthew Stern '11 is continuing work on biomolecular IR-spectroscopy simulations. Jennifer Whealdon '13 is continuing our organic semiconductor design project.
22 Jul 02010 Our paper on Multiple Exciton Generation in Graphene Nanostructures was accepted by Journal of Physical Chemistry C.
06 Jul 02010 Our paper on Helium separation using porous graphene membranes was accepted by Journal of Physical Chemistry Letters.
01 Jul 02010 JS returns from a two-week visit to National University of Ireland, Maynooth working with Jiri Vala in the Dept. of Mathematical Physics. While there, JS also gave talks at the Atlantic Centre for Atomistic Modeling at University College, Dublin and a seminar at NUI Maynooth.
17 May 02010 Summer research begins. Matthew Stern '11 is working on simulating IR spectra of modified proteins. Jennifer Whealdon '13 is working on organic semiconductor design. We have also sent out an "away-team": Anna Brockway '12 is at Harvard working on organic semiconductors, James McClain '11 is at the National High Magnetic Field Laboratory, and Alex Vargo '12 is working on math research at Haverford.
16 May 02010 Commencement 2010. Congratulations to Connor Bischak '10 and Kelvin Chang '10 on jobs well done.
27 Apr 02010 Our paper on The role of stereoactive lone pairs in templated vanadium tellurite charge density matching was accepted by Inorganic Chemistry.
23 Mar 02010 Connor Bischak '10 won a Fulbright fellowship to work on THz laser spectroscopy at Ruhr-Universitaet Bochum in Bochum, Germany
16 Mar 02010 Jennifer Whealdon '13 received a Multicultural Scholars Program fellowship to support summer research on computational design of organic semiconductors in our lab.
22 Feb 02010 Matthew Stern '11 received a HHMI Interdisciplinary Scholars award to support summer research in the lab in the area of biomolecular simulations.
23 Dec 02009 Our paper on Theoretical Characterization of the Air-stable, High-mobility
Dinaphtho[2,3-b:2'3'-f]thieno[3,2-b]-thiophene Organic Semiconductor was accepted by Journal of Physical Chemistry C.
14 Dec 02009 NERSC gave us a bunch of supercomputer time for our organic semiconductor and inorganic nanowire projects in 2010.
31 Aug 02009 Connor Bischak '10 joins the group for Senior Research on protein molecular dynamics simulations.
23 June 02009 JS gave a summer chemistry colloquium talk on "Sculpting quantum states out of graphene nanoribbons".
15-17 June 02009 JS and Prof. Stephon Alexander host "The Sound of Sci(l)ence," three-day series of conversations, workshops, and performances exploring the intersection of music and quantum mechanics, supported by a Mellon Arts Residency Planning Grant.
26 May 02009 Summer research begins. Alex Vargo '12 is working on inorganic nanowires. James McClain '11 is working on graphene. Anna Brockway '12 and Greg Guthe '09 are working on advancing our organic nanowire studies.
16 May 02009 Commencement 2009. Congratulations to Ethan Alguire '09, Greg Guthe '09, and Adam Subhas '09 on jobs well done.
02 Apr 02009 JS received a Petroleum Research Foundation Undergraduate New Investigator (PRF-UNI) grant to advance our research on nanowire thermoelectric materials.
19 Mar 02009 Greg Guthe '09 presented a talk on our porphyrin nanorod simulations at the APS March Meeting in Pittsburgh.
12 Mar 02009 Anna Brockway '12 received the John Chesick Memorial Summer Research internship to join the lab during Summer 2009.
27 Feb 02009 Our paper on Charge density matching in templated molybdates was accepted by Journal of Solid State Chemistry.
20 Feb 02009 Alex Vargo '12 was selected as an HHMI Interdisciplinary Scholar, and will join the lab during Summer 2009.
12 Feb 02009 JS gave a talk at St. Peter's College on "Understanding nanostructures from the atoms up"
18 Sep 02008 Greg Guthe '09 joins the lab for Senior Research Tutorial.
08 Sep 02008 Adam Subhas '09 and Ethan Alguire '09 join the lab for their Senior Research Tutorial.
26 Aug 02008 New website online, thanks to David Moore.
07 Aug 02008 Began operations at Haverford. Previously this summer, Ethan Alguire '09 worked with me at LBNL on implementing and testing a new density functional for solid state calculations.