Phone: 610-964-1388
Office: KINSC E304A


*denotes Haverford students/alumni.

J. Schrier, Introduction to Computational Physical Chemistry (Mill Valley, California: University Science Books, 2017) 505pp. Publisher's Website with Sample Chapters

P. Racuglia*, K. C. Elbert*, P. D. F. Adler, C. Falk*, M. B. Wenny*, A. Mollo*, M. Zeller, S. A. Friedler, J. Schrier, A. J. Norquist, "Machine learning assisted materials discovery using failed experiments" Nature 533, 73-76 (2016)

P. D. F. Adler, R. Xu*, J. H. Olshansky*, M. D. Smith*, K. C. Elbert*, Y. Yang*, G. M. Ferrence, M. Zeller, J. Schrier, A. J. Norquist, "Probing structural adaptability in templated vanadium selenites" Polyhedron 114, 184-193 (2016)

A. Nourmahnad*, M. B. Wenny*, M. Zeller, J. Schrier, A. J. Norquist, "The role of inorganic acidity on templated vanadate composition and dimensionality" J. Solid State Chem. 236, 215-221 (2016)

S. D. Pineda Flores*, G. C. Martin-Noble*, R. L. Phillips*, J. Schrier, "Bio-Inspired Electroactive Organic Molecules for Aqueous Redox Flow Batteries. 1. Thiophenoquinones" J. Phys. Chem. C 119, 21800-21809 (2015)

G. C. Martin-Noble*, D. Reilley*, Luis M. Rivas*, M.D. Smith*, J. Schrier, "EQeq+C: An Empirical Bond-Order Corrected Extended Charge Equilibration Method", J. Chem. Theory Comput. 11, 3364-3374 (2015)

A. Nourmahnad*, M. D. Smith*, M. Zeller, G. Ferrence, J. Schrier, A. J. Norquist, “Role of non-covalent interactions on vanadium tellurite chain connectivities”, Inorg. Chem. 54, 694-703(2015)

J. Olshansky*, K Wiener*, M. D. Smith*, A. Nourmahnad*, M. Charles*, M. Zeller, J. Schrier, A. J. Norquist, "Formation principles for vanadium selenites: the role of pH on product composition" Inorg. Chem. 53, 12027-12035 (2014)

S. Mandra, J. Schrier, M. Ceotto, "Helium Isotope Enrichment by Resonant Tunneling through Nanoporous Graphene Bilayers" J. Phys. Chem. A 118, 6457-6465 (2014)

J. H. Koffer*, J. H. Olshansky*, M. D. Smith*, K. J. Hernandez, M. Zeller, G. M. Ferrence, J. Schrier, A. J. Norquist, "Formation principles for templated vanadium selenite oxalates" Cryst. Growth Des. 13 4504-4511 (2013)

K. Solvik*, J. A. Weaver*, A. M. Brockway*, J. Schrier, "Entropy-driven Molecular Separations in 2D-Nanoporous Materials, with Application to High-performance Paraffin/Olefin Membrane Separations" J. Phys. Chem. C 117 17050-17057 (2013)

K. B. Chang*, M. D. Smith*, S.M. Blau*, E. C. Glor*, M. Zeller, J. Schrier, A. J. Norquist, “Steric-Induced Layer Flection in Templated Vanadium Tellurites” Cryst. Growth Des. 13, 2190-2197 (2013).

A. M. Brockway*, J. Schrier, "Noble Gas Separation using PG-ESX (X=1,2,3) Nanoporous Two-dimensional Polymers" J. Phys. Chem. C, 117, 393-402 (2013).

J. H. Olshansky*, T. T. Tran, K. J. Hernandez, M. Zeller, P. S. Halasyamani, J. Schrier, A. J. Norquist, “Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks” Inorg. Chem. 51, 11040-11048 (2012).

J. Schrier, "Carbon Dioxide Separation with a Two-Dimensional Polymer Membrane" ACS Appl. Mater. Interfaces 4, 3745-3752 (2012).

A. W. Hauser, J. Schrier, P. Schwerdtfeger, "Helium Tunneling through Nitrogen-Functionalized Graphene Pores: Pressure- and Temperature-Driven Approaches to Isotope Separation" J. Phys. Chem. C 116, 10819-10827 (2012).

M. D. Smith*, S. M. Blau*, K. B. Chang*, T. T. Tran, M. Zeller, P. S. Halasyamani, J. Schrier, A. J. Norquist, "Inducing polarity in [VO3]nn- chain compounds using asymmetric hydrogen-bonding networks", J. Solid State Chem. 195 86-93 (2012).

J. Schrier, "Ethanol concentration by forward osmosis with solar-regenerated draw solution", Solar Energy 86, 1351-1358 (2012).

J. Schrier, J. McClain*, "Thermally-driven isotope separation across nanoporous graphene", Chem. Phys. Lett. 521, 118-124 (2012).

J. Schrier, "Fluorinated and Nanoporous Graphene Materials As Sorbents for Gas Separations", ACS Appl. Mater. Interfaces 3, 4451-4458 (2011).

M. D. Smith*, S. M. Blau*, K. B. Chang*, Matthias Zeller, J. Schrier, A. J. Norquist, "Beyond Charge Density Matching: The Role of C–H···O Interactions in the Formation of Templated Vanadium Tellurites" Cryst. Growth Des. 11, 4213-4219 (2011).

A. N. Sokolov, S. Atahan-Evrenk, R. Mondal, H. B. Akkerman, R. S. Sánchez-Carrera, S. Granados-Focil, J. Schrier, S. C.B. Mannsfeld, A. P. Zoombelt, Z. Bao, A. Aspuru-Guzik, "From computational discovery to experimental characterization of a high hole mobility organic crystal" Nature Commun. 2, 437 (2011).

J. H. Olshansky*, S. M. Blau*, M. Zeller, J. Schrier, A. J. Norquist, "Understanding an order-disorder phase transition in ionothermally synthesized gallium phosphates" Cryst. Growth Des. 11, 3065-3071 (2011)

E. C. Glor*, S. M. Blau*, J. Yeon, M. Zeller, P. S. Halasyamani, J. Schrier, A. J. Norquist, "[R-C7H16N2][V2Te2O10] and [S-C7H16N2][V2Te2O10]; new polar templated vanadium tellurite enantiomers" J. Solid State Chem. 184, 1445-1450 (2011)

A. V. Subhas*, J. Whealdon*, J. Schrier, "Predicting organic thin-film transistor carrier type from single molecule calculations" Comput. Theoret. Chem. 966, 70 (2011)

J. McClain*, J. Schrier, "Multiple Exciton Generation in Graphene Nanostructures" J. Phys. Chem. C 114, 14332 (2010)

J. Schrier, "Helium Separation Using Porous Graphene Membranes" J. Phys. Chem. Lett. 1, 2284 (2010)

K. B. Chang*, D. J. Hubbard*, M. Zeller, J. Schrier, and A. J. Norquist, "The Role of Stereoactive Lone Pairs in Templated Vanadium Tellurite Charge Density Matching" Inorg. Chem. 49, 5167 (2010)

R. S. Sanchez-Carrera, S. Atahan, J. Schrier, and A. Aspuru-Guzik, "Theoretical Characterization of the Air-Stable, High-Mobility Dinaphtho[2,3-b:2'3'-f]thieno[3,2-b]-thiophene Organic Semiconductor" J. Phys. Chem. C. 114, 2334 (2010)

H. S. Casalongue*, S. J. Choyke*, A. N. Sarjeant, J. Schrier, A. J. Norquist, "Charge density matching in templated molybdates" J. Solid State Chem. 182, 1297 (2009)

Publications before joing Haverford

J. Sun, W. E. Buhro, L.-W. Wang and J. Schrier, "Electronic structure and spectroscopy of cadmium telluride quantum wires" Nano Lett. 8, 2913 (2008).

J. Schrier and L.-W. Wang, "Shape dependence of resonant energy transfer between semiconductor nanocrystals", J. Phys. Chem. C 112, 11158 (2008).

J. Schrier, B. Lee and L.-W. Wang, "Mechanical and electronic-structure properties of compressed CdSe tetrapod nanocrystals", J. Nanosci. Nanotechnol. 8, 1994 (2008).

L. Fang, J. Y. Park , Y. Cui, A. P. Alivisatos, J. Schrier, B. Lee, L.-W. Wang and M. Salmeron, "Mechanical and electrical properties of CdTe tetrapods studied by atomic force microscopy" J. Chem. Phys. 127, 184704 (2007).

J. Schrier, D. O. Demchenko, L.-W. Wang and A. P. Alivisatos, "Optical properties of ZnO/ZnS and ZnO/ZnTe heterostructures for photovoltaic applications", Nano Lett. 7, 2377-2382 (2007).

J. Schrier and L.-W. Wang, "A systematic first principles study of nanocrystal quantum-dot quantum wells," Phys. Rev. B 73, 245332 (2006).

J. Schrier and L.-W. Wang, "On the Size-Dependent Behavior of Nanocrystal-Ligand Bonds," J. Phys. Chem. B 110, 11982-11985 (2006).

J. Schrier and K. B. Whaley, "Hyperfine coupling constants of Azafullerenes C19N, C59N, C69N and C75N," J. Phys. Chem. A 110, 5386-5390 (2006).

J. Schrier and K. B. Whaley, "Atomistic theory of coherent spin transfer between molecularly bridged quantum dots," Phys. Rev. B 72, 085320 (2005).

L. Senapati, J. Schrier, and K. B. Whaley, "Electronic transport, structure, and energetics of endohedral Gd@C82 metallofullerene", Nano Lett. 4, 2073-2078 (2004); ibid. 5, 2341 (2005).

J. Schrier and K. B. Whaley, "A simple model for magnetization ratios in doped nanocrystals," J. Appl. Phys. 95, 1436-1438 (2004).

P. J. Bratt, P. Heathcote, A. Hassan, J. van Tol, L. C. Brunel, J. Schrier, and A. Angerhofer, "EPR at 24 T of the primary donor radical cation from Blastochloris viridis", Chem. Phys. 294, 277-284 (2003).

J. Schrier and K. B. Whaley, "Tight-binding g-factor calculations of CdSe nanostructures," Phys. Rev. B 67, 235301 (2003).

P. J. Bratt, O. Poluektov, M. Thurnauer, J. Krystek, L.-C. Brunel, J. Schrier, Y.-W Hsiao, M. Zerner, A. Angerhofer, "The g-factor anisotropy of Plant Chlorophyll a*+", J. Phys. Chem. B, 104 (30), 6973-6977 (2000).