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Challacombe, Matt
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1

Solvers for $\mathcal{O} (N)$ Electronic Structure in the S..:

Bock, Nicolas ; Challacombe, Matt ; Kalé, Laxmikant V.
SIAM Journal on Scientific Computing.  38 (2016)  1 - p. C1-C21 , 2016
Link: https://doi.org/10.1137/..
 
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2

Linear Scaling Solution of the Time-Dependent Self-Consiste..:

Challacombe, Matt
Computation.  2 (2014)  1 - p. 1-11 , 2014
Link: https://doi.org/10.3390/..
 
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3

Communication: An N-body solution to the problem of Fock ex..:

Challacombe, Matt ; Bock, Nicolas
The Journal of Chemical Physics.  140 (2014)  11 - p. , 2014
Link: https://doi.org/10.1063/..
 
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4

An Optimized Sparse Approximate Matrix Multiply for Matrice..:

Bock, Nicolas ; Challacombe, Matt
SIAM Journal on Scientific Computing.  35 (2013)  1 - p. C72-C98 , 2013
Link: https://doi.org/10.1137/..
 
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5

Trace correcting density matrix extrapolation in self-consi..:

Niklasson, Anders M. N. ; Challacombe, Matt ; Tymczak, C. J..
The Journal of Chemical Physics.  132 (2010)  12 - p. , 2010
Link: https://doi.org/10.1063/..
 
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6

The choice of internal coordinates in complex chemical syst..:

Németh, Károly ; Challacombe, Matt ; Van Veenendaal, Michel
Journal of Computational Chemistry.  31 (2010)  10 - p. 2078-2086 , 2010
Link: https://doi.org/10.1002/..
 
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7

Extended Lagrangian Born–Oppenheimer molecular dynamics wit..:

Niklasson, Anders M. N. ; Steneteg, Peter ; Odell, Anders...
The Journal of Chemical Physics.  130 (2009)  21 - p. , 2009
Link: https://doi.org/10.1063/..
 
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8

Higher-order symplectic integration in Born–Oppenheimer mol..:

Odell, Anders ; Delin, Anna ; Johansson, Börje...
The Journal of Chemical Physics.  131 (2009)  24 - p. , 2009
Link: https://doi.org/10.1063/..
 
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9

Representation independent algorithms for molecular respons..:

Tretiak, Sergei ; Isborn, Christine M. ; Niklasson, Anders M. N..
The Journal of Chemical Physics.  130 (2009)  5 - p. , 2009
Link: https://doi.org/10.1063/..
 
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10

Molecular-orbital-free algorithm for excited states in time..:

Lucero, Melissa J. ; Niklasson, Anders M. N. ; Tretiak, Sergei.
The Journal of Chemical Physics.  129 (2008)  6 - p. , 2008
Link: https://doi.org/10.1063/..
 
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11

Time-reversible ab initio molecular dynamics:

Niklasson, Anders M. N. ; Tymczak, C. J. ; Challacombe, Matt
The Journal of Chemical Physics.  126 (2007)  14 - p. , 2007
Link: https://doi.org/10.1063/..
 
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12

Exchange energy gradients with respect to atomic positions ..:

Weber, Valéry ; Daul, Claude ; Challacombe, Matt
The Journal of Chemical Physics.  124 (2006)  21 - p. , 2006
Link: https://doi.org/10.1063/..
 
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13

Parallel algorithm for the computation of the Hartree-Fock ..:

Weber, Valéry ; Challacombe, Matt
The Journal of Chemical Physics.  125 (2006)  10 - p. , 2006
Link: https://doi.org/10.1063/..
 
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14

Time-Reversible Born-Oppenheimer Molecular Dynamics:

Niklasson, Anders M. N. ; Tymczak, C. J. ; Challacombe, Matt
Physical Review Letters.  97 (2006)  12 - p. , 2006
Link: https://doi.org/10.1103/..
 
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15

Energy gradients with respect to atomic positions and cell ..:

Weber, Valéry ; Tymczak, Christopher J. ; Challacombe, Matt
The Journal of Chemical Physics.  124 (2006)  22 - p. , 2006
Link: https://doi.org/10.1063/..
 
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