Neuscamman, Eric - University of California, Berkeley

个人简介

Born 1984 B.S. Physical Chemistry, UCLA, 2006 B.S. Chemical Engineering, UCLA, 2006 Ph.D. Theoretical Chemistry, Cornell University, 2011 Miller Research Fellow, 2011-2014 Lawrence Fellow 2014-2015 Assistant Professor, UC Berkeley 2015-present

研究领域

Eric derives and implements new theoretical models and related algorithms for the electronic structure of molecules and materials. In particular, Eric is interested in approximations that retain their accuracy even in systems where mean-field-based methods such as density functional theory and even coupled cluster theory are grossly incorrect due to the breakdown of the statistically independent particle approximation. Advances in this area are needed in order to improve our predictive power over chemical catalysis, molecular light harvesting, and materials with non-innocent d or f orbitals.

近期论文

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“A Blocked Linear Method for Optimizing Large Parameter Sets in Variational Monte Carlo” Luning Zhao and E. Neuscamman, arXiv 1702.01481 (2017) (Link) “Suppressing ionic terms with number counting Jastrow factors in real space” Brett Van Der Goetz and E. Neuscamman, J. Chem. Theory Comput. (accepted, 2017) DOI: 10.1021/acs.jctc.7b00158 (Link) “Amplitude determinant coupled cluster with pairwise doubles” Luning Zhao and E. Neuscamman, J. Chem. Theory Comput. 12, 5841 (2016) (Link) “Communication: Variation After Response in Quantum Monte Carlo” E. Neuscamman, J. Chem. Phys. 145, 081103 (2016) (Link) “Equation of motion theory for excited states in variational Monte Carlo and the Jastrow antisymmetric geminal power in Hilbert space” Luning Zhao and E. Neuscamman, J. Chem. Theory Comput. 12, 3719 (2016) (Link) “An efficient variational principle for the direct optimization of excited states” Luning Zhao and E. Neuscamman, J. Chem. Theory Comput. 12, 3436 (2016) (Link) “Improved Optimization for the Cluster Jastrow Antisymmetric Geminal Power and Tests on Triple-Bond Dissociations” E. Neuscamman, J. Chem. Theory Comput. 12, 3149 (2016) (Link) “Subtractive manufacturing with geminal powers: making good use of a bad wave function” E. Neuscamman, Mol. Phys. 114, 577 (2016) (Link)