1. Department of Chemical and Environmental Engineering, Yale University, New Haven, CT 06520-8286, USA.
2. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
3. Quantum Simulations Group, Lawrence Livermore National Laboratory, Livermore, CA 94550, USA.
4. Faculty of Civil and Environmental Engineering, Technion–Israel Institute of Technology, Haifa 32000, Israel.